SCHEMBL4536337

SCHEMBL4536337

O=C(CCl)N(CC1(O)CCN(Cc2ccccc2)CC1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.52
CHRM2 P08172 5/20 0.50
CHRM3 P20309 5/20 0.50
OPRL1 P41146 1/20 0.47
SIGMAR1 Q99720 3/20 0.46
POLB P06746 1/20 0.46
CHRM4 P08173 1/20 0.46
CYP2D6 P10635 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR3 P51677 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL17606580 0.89 CHRM2 (0.56) OPRM1CHRM2CHRM3OPRL1SIGMAR1
SCHEMBL17606206 0.81 CHRM2 (0.51) OPRM1CHRM2CHRM3OPRL1SIGMAR1
SCHEMBL15238945 0.81 OPRM1 (0.50) OPRM1CHRM2CHRM3OPRL1SIGMAR1
SCHEMBL19307244 0.81 OPRM1 (0.47) OPRM1CHRM2CHRM3OPRL1SIGMAR1
SCHEMBL4940466 0.79 MAPT (0.42) CHRM4MEN1KMT2A
SCHEMBL18123522 0.78 OPRM1 (0.65) OPRM1CHRM2CHRM3SIGMAR1CHRM4
SCHEMBL736647 0.77 HRH3 (0.41) KMT2AL3MBTL1
SCHEMBL20274795 0.76 OPRM1 (0.42) OPRM1CHRM2CHRM3OPRL1POLB
SCHEMBL737369 0.76 HRH3 (0.42) MEN1KMT2AL3MBTL1
SCHEMBL17606694 0.76 CYP2D6 (0.53) OPRM1CHRM2CHRM3OPRL1SIGMAR1

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
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO disclosed