SCHEMBL9301498

SCHEMBL9301498

CCOP(=O)(O)C(N1CCC(C#N)(c2ccccc2)CC1)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.46
OPRM1 P35372 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ADRA1D P25100 4/20 0.40
ADRA1A P35348 4/20 0.40
ADRA1B P35368 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
OPRL1 P41146 2/20 0.38

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
SCHEMBL9302643 0.74 FDPS (0.38)
SCHEMBL5075884 0.73 FDPS (0.45)
SCHEMBL6670360 0.73 FDPS (0.45)
SCHEMBL9300979 0.73 OPRM1 (0.49) OPRM1HRH3
SCHEMBL9302623 0.73 FDPS (0.37)
SCHEMBL9302275 0.73 FDPS (0.37)
SCHEMBL9300897 0.72 FDPS (0.36)
SCHEMBL9301059 0.71 ALDH1A1 (0.52) OPRM1ALDH1A1HRH3
SCHEMBL3278422 0.71 CA12 (0.56) OPRD1OPRM1CA12CA1CA2
SCHEMBL7696075 0.71 CYP2D6 (0.62) OPRD1OPRM1CA12CA1CA2

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