SCHEMBL1769541

SCHEMBL1769541

CCOC(=O)C1(c2ccc(N3CC(CN4C(=O)c5ccccc5C4=O)OC3=O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.47
OPRM1 P35372 6/20 0.44
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43
SLC22A1 O15245 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRM2 Q14416 1/20 0.42

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
SCHEMBL1769325 0.87 CALML3 (0.40) SIGMAR1
SCHEMBL1769464 0.84 MAOA (0.51) SIGMAR1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL1769462 0.83 F10 (0.48) SIGMAR1OPRM1GRM2
SCHEMBL28849018 0.77 GRM2 (0.61) GRM2
SCHEMBL29950085 0.77 GRM2 (0.61) GRM2
SCHEMBL9823169 0.77 GRM2 (0.61) GRM2
SCHEMBL29950193 0.77 GRM2 (0.61) GRM2
SCHEMBL9823246 0.76 ALDH1A1 (0.53) SIGMAR1ADRA1AGRM2
SCHEMBL4761279 0.75 GRM2 (0.46) SIGMAR1GRM2
SCHEMBL1769559 0.74 CALML3 (0.40) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011061760-A1 NOVEL ANTITHROMBOTIC AGENTS CADILA HEALTHCARE LIMITED (IN) 2011-05-26 WO disclosed