SCHEMBL9301631

SCHEMBL9301631

CC1(C)CCCN(Cc2ccccc2)C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MC4R P32245 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2D6 P10635 3/20 0.41
GAA P10253 1/20 0.40
ELANE P08246 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL24696382 0.85 OPRL1 (0.45) MEN1KMT2AMC4RSIGMAR1CYP3A4
SCHEMBL3272543 0.82 MEN1 (0.47) MEN1KMT2AMC4RSIGMAR1CYP3A4
SCHEMBL2931788 0.81 MEN1 (0.46) MEN1KMT2AMC4RSIGMAR1CYP3A4
SCHEMBL8936204 0.79 OPRL1 (0.46) MEN1KMT2AMC4RSIGMAR1CYP3A4
SCHEMBL5592149 0.79 OPRL1 (0.46) MEN1KMT2AMC4RSIGMAR1CYP3A4
SCHEMBL29116251 0.78 LIPG (0.38) MEN1KMT2A
SCHEMBL26619967 0.77 SIGMAR1 (0.44) MEN1KMT2AMC4RSIGMAR1CYP3A4
SCHEMBL25000121 0.77 CYP2D6 (0.43) MEN1KMT2ASIGMAR1CYP3A4CYP2D6
SCHEMBL24316045 0.77 MEN1 (0.43) MEN1KMT2AMC4RSIGMAR1CYP3A4
SCHEMBL14827664 0.77 MEN1 (0.43) MEN1KMT2AMC4RSIGMAR1CYP3A4

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