SCHEMBL8701346

SCHEMBL8701346

O=P(O)(O)C(CC1CCCCN1)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 1.00
CYP2D6 P10635 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
MLNR O43193 1/20 0.50
ABCB11 O95342 1/20 0.50
EGFR P00533 1/20 0.50
FYN P06241 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
HTR1A P08908 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9083341 0.89 FDPS (0.79) FDPSCYP2D6MEN1LMNATP53
SCHEMBL9083338 0.82 FDPS (0.70) FDPSCYP2D6MEN1LMNATP53
SCHEMBL4105304 0.79 FDPS (0.65) FDPSCYP2D6MEN1LMNATP53
SCHEMBL8713222 0.78 FDPS (0.64) FDPSCYP2D6MEN1LMNATP53
Perhexiline SCHEMBL4316882 0.77 CYP2D6 (0.80) FDPSCYP2D6MEN1LMNATP53
SCHEMBL8778238 0.71 FDPS (0.56) FDPS
SCHEMBL8648798 0.71 FDPS (0.55) FDPSCYP2D6MEN1LMNATP53
SCHEMBL18230965 0.71 FDPS (0.55) FDPSGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL456091 0.71 CYP2D6 (0.55) FDPSCYP2D6MEN1LMNATP53
SCHEMBL21064561 0.71 CYP2D6 (0.55) FDPSCYP2D6MEN1LMNATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0608322-B1 ENHANCED SKIN PENETRATION SYSTEM FOR IMPROVED TOPICAL DELIVERY OF DRUGS RICHARDSON VICKS INC (US) 1998-07-22 EP claimed
US-5773023-A BLEND OF AQUEOUS CARRIER, ACTIVE MATERIAL AND POLYACRYLAMIDE RICHARDSON-VICKS INC. (US) 1998-06-30 US claimed
EP-0608320-B1 ENHANCED SKIN PENETRATION SYSTEM FOR IMPROVED TOPICAL DELIVERY OF DRUGS RICHARDSON VICKS INC (US) 1998-01-28 EP claimed
EP-0652774-B1 PHARMACEUTICAL COMPOSITION FOR TOPICAL USE CONTAINING A CROSSLINKED CATIONIC POLYMER AND AN ALKOXYLATED ETHER PROCTER & GAMBLE (US) 1997-05-07 EP claimed
US-5614178-A TRANSDERMAL THE PROCTER & GAMBLE COMPANY (US) 1997-03-25 US claimed
EP-0652774-A1 PHARMACEUTICAL COMPOSITION FOR TOPICAL USE CONTAINING A CROSSLINKED CATIONIC POLYMER AND AN ALKOXYLATED ETHER. PROCTER & GAMBLE (US) 1995-05-17 EP claimed
EP-0608322-A1 ENHANCED SKIN PENETRATION SYSTEM FOR IMPROVED TOPICAL DELIVERY OF DRUGS RICHARDSON-VICKS, INC. (US) 1994-08-03 EP claimed
EP-0608320-A1 ENHANCED SKIN PENETRATION SYSTEM FOR IMPROVED TOPICAL DELIVERY OF DRUGS RICHARDSON-VICKS, INC. (US) 1994-08-03 EP claimed
EP-0274158-B1 Novel heterocycle-substituted diphosphonate compounds, pharmaceutical compositions, and methods of treating abnormal calcium and phosphate matabolism NORWICH EATON PHARMA (US) 1994-03-23 EP claimed
WO-1994002176-A1 PHARMACEUTICAL COMPOSITION FOR TOPICAL USE CONTAINING A CROSSLINKED CATIONIC POLYMER AND AN ALKOXYLATED ETHER THE PROCTER & GAMBLE COMPANY (US) 1994-02-03 WO claimed
WO-1993007902-A1 ENHANCED SKIN PENETRATION SYSTEM FOR IMPROVED TOPICAL DELIVERY OF DRUGS RICHARDSON-VICKS, INC. (US) 1993-04-29 WO claimed
WO-1993007903-A1 ENHANCED SKIN PENETRATION SYSTEM FOR IMPROVED TOPICAL DELIVERY OF DRUGS RICHARDSON-VICKS, INC. (US) 1993-04-29 WO claimed
US-5519013-A Heterocycle-substituted diphosphonate compounds, pharmaceutical compositions, and methods of treating abnormal calcium and phosphate metabolism THE PROCTER & GAMBLE COMPANY (US) 1996-05-21 US disclosed
US-5334586-A Heterocycle-substituted diphosphonate compounds, pharmaceutical compositions, and methods of treating abnormal calcium and phosphate metabolism PROCTER & GAMPLE PHARMACEUTICALS, INC. (US) 1994-08-02 US disclosed
EP-0274158-B1 Novel heterocycle-substituted diphosphonate compounds, pharmaceutical compositions, and methods of treating abnormal calcium and phosphate matabolism NORWICH EATON PHARMA (US) 1994-03-23 EP disclosed
EP-0586521-A1 CALCIUM, TRACE MINERAL, VITAMIN D AND DRUG THERAPY COMBINATIONS THE PROCTER & GAMBLE COMPANY (US) 1994-03-16 EP disclosed
WO-1992021355-A1 CALCIUM, TRACE MINERAL, VITAMIN D AND DRUG THERAPY COMBINATIONS THE PROCTER & GAMBLE COMPANY (US) 1992-12-10 WO disclosed
US-5071840-A Certain heterocyclic substituted diphosphonate compounds pharmaceutical compositions, and methods of treating abnormal calcium and phosphate metabolism NORWICH EATON PHARMACEUTICALS, INC. (US) 1991-12-10 US disclosed
EP-0351897-A2 Skin penetration system for salts of amine-functional drugs THE PROCTER & GAMBLE COMPANY (US) 1990-01-24 EP disclosed