SCHEMBL8778348

SCHEMBL8778348

O=P(O)(O)C(NC1CCNCC1S)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
MMP2 P08253 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
SCHEMBL8778221 0.75 ANPEP (0.31) ANPEPERAP2
SCHEMBL9082189 0.71 EPHX1 (0.43) ANPEPERAP2MMP2
SCHEMBL8778240 0.70 ANPEP (0.33) ANPEPERAP2
SCHEMBL9082642 0.69 MAPK1 (0.38) ANPEPERAP2MMP2
SCHEMBL8778286 0.67 FDPS (0.46) ANPEPERAP2
SCHEMBL8465817 0.66
SCHEMBL8778330 0.66 ANPEP (0.33) ANPEPERAP2
SCHEMBL8778261 0.64
SCHEMBL8778300 0.64
(Cyclopropylamino)Methylenediphosphonic Acid SCHEMBL9627717 0.63 MMP2 (0.41) ANPEPERAP2MMP2

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-0648120-B1 USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMA (US) 1997-12-29 EP claimed
EP-0648120-A1 USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-04-19 EP claimed
WO-1994000129-A1 USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1994-01-06 WO claimed
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-0642521-A1 THIO-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS (US) 1995-03-15 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-1993024500-A1 THIO-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM THE PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 WO disclosed