SCHEMBL1769462

SCHEMBL1769462

CCOC(=O)C1(c2ccc(N3CC(CN)OC3=O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.48
SIGMAR1 Q99720 3/20 0.46
OPRM1 P35372 5/20 0.46
GRM2 Q14416 3/20 0.44

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
SCHEMBL1769464 0.90 MAOA (0.51) SIGMAR1OPRM1GRM2
SCHEMBL1769446 0.85 MAOB (0.43) F10
SCHEMBL1769541 0.83 SIGMAR1 (0.47) SIGMAR1OPRM1GRM2
SCHEMBL15203256 0.76 GRM2 (0.64) F10SIGMAR1GRM2
SCHEMBL12728922 0.76 GRM2 (0.64) F10SIGMAR1GRM2
SCHEMBL1769216 0.75 CALML3 (0.52)
SCHEMBL24890867 0.75 GRM2 (0.69) F10GRM2
SCHEMBL10759100 0.74 F10 (0.57) F10GRM2
SCHEMBL6620228 0.74 F10 (0.54) F10SIGMAR1GRM2
SCHEMBL6620224 0.74 F10 (0.54) F10SIGMAR1GRM2

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