SCHEMBL9300487

SCHEMBL9300487

O=P(O)(O)C(N1CCC2(CCCCC2)CC1)P(=O)(O)O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.63
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
ANPEP P15144 1/20 0.32
ERAP2 Q6P179 1/20 0.32

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
SCHEMBL9301543 0.98 FDPS (0.59) FDPSTSHRCYP2C19
SCHEMBL9301189 0.90 FDPS (0.58) FDPS
SCHEMBL9301193 0.89 FDPS (0.53) FDPSTSHRCYP2C19ANPEPERAP2
SCHEMBL9300041 0.82 FDPS (0.54) FDPSTSHRCYP2C19
SCHEMBL9300273 0.81 FDPS (0.64) FDPSTSHRCYP2C19ANPEPERAP2
SCHEMBL9302201 0.81 FDPS (0.59) FDPSTSHRCYP2C19ANPEPERAP2
SCHEMBL2472093 0.78 FDPS (1.00) FDPSTSHRANPEPERAP2
N-(Hexamethyleneimino)Methylenebisphosphonic Acid SCHEMBL12309768 0.78 FDPS (1.00) FDPSTSHRANPEPERAP2
SCHEMBL2203676 0.75 FDPS (0.85) FDPSANPEPERAP2
SCHEMBL9301246 0.75 FDPS (0.56) FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5032684-A None JP disclosed
US-5350743-A Treatment of osteoporosis KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-09-27 US disclosed
JP-H0532684-A BISPHOSPHONIC ACID DERIVATIVE KAKEN PHARMACEUT CO LTD 1993-02-09 JP disclosed
EP-0498424-A1 Bisphosphonic acid derivatives and bone resorption inhibitors containing them Kaken Pharmaceutical Co., Ltd. (JP) 1992-08-12 EP disclosed