SCHEMBL9301973

SCHEMBL9301973

CCCCCCC1(O)CCN(C(P(=O)(O)O)P(=O)(O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.53
OPRD1 P41143 2/20 0.53
OPRK1 P41145 2/20 0.53
OPRL1 P41146 2/20 0.53
S1PR1 P21453 4/20 0.42
S1PR3 Q99500 4/20 0.42
S1PR5 Q9H228 2/20 0.42
S1PR4 O95977 2/20 0.41
FDPS P14324 7/20 0.41
LAP3 P28838 2/20 0.40
LPAR3 Q9UBY5 3/20 0.38
LPAR2 Q9HBW0 1/20 0.38
S1PR2 O95136 2/20 0.34

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
SCHEMBL9302434 0.80 FDPS (0.48) OPRM1OPRD1OPRK1OPRL1S1PR1
SCHEMBL17607279 0.72 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1
SCHEMBL17731291 0.72 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1
SCHEMBL17730835 0.72 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1
SCHEMBL17607210 0.72 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1
SCHEMBL1868334 0.72 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1
SCHEMBL9303011 0.71 FDPS (0.54) FDPS
SCHEMBL4437885 0.70
SCHEMBL5823742 0.70 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4782236 0.69 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1S1PR1

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