SCHEMBL8468542

SCHEMBL8468542

C[N+]1(C)CCCC2C1CCC2(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 2/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL8465541 0.73 MEN1 (0.33) MEN1TSHRKMT2A
SCHEMBL8465815 0.73
Iodide SCHEMBL8468496 0.72 MEN1 (0.33) MEN1TSHRKMT2A
SCHEMBL9419912 0.70 MEN1 (0.33) MEN1TSHRKMT2A
Iodide SCHEMBL8387854 0.69 MEN1 (0.33) MEN1TSHRKMT2A
SCHEMBL8468237 0.68
SCHEMBL9740737 0.67 TSHR (0.31) TSHR
SCHEMBL8498316 0.67 MEN1 (0.33) MEN1TSHRKMT2ACHRM2CHRM5
Iodide SCHEMBL8500685 0.66 MEN1 (0.33) MEN1TSHRKMT2ACHRM2CHRM5
Iodide SCHEMBL8468039 0.66 MEN1 (0.33) MEN1TSHRKMT2ACHRM2CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643716-B1 QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMA (US) 1999-12-08 EP disclosed
US-5869471-A Methods for the treatment of arthritis using phosphonates and NSAIDS THE PROCTOR & GAMBLE COMPANY (US) 1999-02-09 US disclosed
US-5753634-A TREATING OR PREVENTING ARTHRITIS AND OSTEOPOROSIS THE PROCTER & GAMBLE COMPANY (US) 1998-05-19 US disclosed
EP-0648120-B1 USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMA (US) 1997-12-29 EP disclosed
EP-0650361-A1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-05-03 EP disclosed
EP-0648120-A1 USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-04-19 EP disclosed
EP-0643716-A1 QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM THE PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-03-22 EP disclosed
WO-1994000129-A1 USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1994-01-06 WO disclosed
WO-1994000130-A1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1994-01-06 WO disclosed
WO-1993024499-A1 QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 WO disclosed