SCHEMBL9084564

SCHEMBL9084564

O=P(O)(O)C(O)(CC1CCNCC1)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 15/20 0.51
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
PDE3A Q14432 2/20 0.39
LMNA P02545 1/20 0.39
ADRB3 P13945 1/20 0.39
PDE4D Q08499 1/20 0.39
GGPS1 O95749 6/20 0.35
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRA4 P48169 1/20 0.34

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
SCHEMBL9806687 0.89 FDPS (0.49) FDPSANPEPERAP2PDE3ALMNA
SCHEMBL9083416 0.84 FDPS (0.43) FDPSANPEPERAP2PDE3ALMNA
SCHEMBL19193755 0.83 FDPS (0.58) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL20572945 0.83 FDPS (0.53) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL18962170 0.81 FDPS (0.56) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL19193926 0.81 FDPS (0.56) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL19193859 0.81 FDPS (0.56) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8701605 0.79 FDPS (0.51) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9081574 0.78 ANPEP (0.40) FDPSANPEPERAP2LMNASLC6A1
SCHEMBL9082307 0.78 ANPEP (0.44) FDPSANPEPERAP2PDE3ALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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