SCHEMBL9300979

SCHEMBL9300979

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.49
SLC18A3 Q16572 5/20 0.44
DRD2 P14416 1/20 0.43
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 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
SCHEMBL9302534 0.84 KCNH2 (0.49) OPRM1SLC18A3DRD2KCNH2HRH3
SCHEMBL9301059 0.83 ALDH1A1 (0.52) OPRM1KCNH2HRH3L3MBTL1
SCHEMBL9301817 0.78 FDPS (0.38)
SCHEMBL5075884 0.78 FDPS (0.45)
SCHEMBL6670360 0.78 FDPS (0.45)
SCHEMBL9301498 0.73 OPRD1 (0.46) OPRM1HRH3
SCHEMBL9301764 0.73 FDPS (0.44) L3MBTL1SIGMAR1
SCHEMBL9301258 0.73 FDPS (0.38)
SCHEMBL9301070 0.72 FDPS (0.37)
SCHEMBL6221180 0.71 SLC18A3 (0.48) OPRM1SLC18A3DRD2KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5148279-A None JP disclosed
US-5352437-A Uses n-butane as propellant; excellent in cracking sound when applied to skin HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1994-10-04 US disclosed
US-5350743-A Treatment of osteoporosis KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-09-27 US disclosed
JP-H05148279-A BISPHOSPHONIC ACID DERIVATIVE KAKEN PHARMACEUT CO LTD 1993-06-15 JP disclosed
EP-0498424-A1 Bisphosphonic acid derivatives and bone resorption inhibitors containing them Kaken Pharmaceutical Co., Ltd. (JP) 1992-08-12 EP disclosed