SCHEMBL9301059

SCHEMBL9301059

CCOP(=O)(O)C(N1CCC(Cc2ccccc2)CC1)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
OPRM1 P35372 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL9301335 0.86 KCNH2 (0.52) OPRM1KCNH2HRH3
SCHEMBL9300979 0.83 OPRM1 (0.49) OPRM1L3MBTL1KCNH2HRH3
SCHEMBL9301817 0.76 FDPS (0.38)
SCHEMBL5075884 0.76 FDPS (0.45)
SCHEMBL6670360 0.76 FDPS (0.45)
SCHEMBL4577442 0.73 L3MBTL1 (0.63) ALDH1A1OPRM1L3MBTL1KCNH2HRH3
SCHEMBL9301498 0.71 OPRD1 (0.46) ALDH1A1OPRM1HRH3
SCHEMBL9301764 0.71 FDPS (0.44) L3MBTL1
SCHEMBL9301258 0.71 FDPS (0.38) ALDH1A1
SCHEMBL278451 0.70 HRH3 (0.71) KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5350743-A Treatment of osteoporosis KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-09-27 US disclosed
EP-0498424-A1 Bisphosphonic acid derivatives and bone resorption inhibitors containing them Kaken Pharmaceutical Co., Ltd. (JP) 1992-08-12 EP disclosed