SCHEMBL18756194

SCHEMBL18756194

COc1cnc(C(=O)C/C=C/[C@H]2CCCC[C@@H]2O)cc1Cc1ccc(-c2cnn(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 7/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ AXL P30530 2/20 0.37
▸ MERTK Q12866 2/20 0.37
▸ CCNC P24863 4/20 0.36
▸ CDK8 P49336 4/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ WNT1 P04628 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ GRM2 Q14416 1/20 0.36

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
SCHEMBL21235342 0.82 CHRM1 (0.46) CHRM1PTGDR2AXLMERTKCCNC
SCHEMBL18725462 0.81 CHRM1 (0.67) CHRM1AXLMERTK
SCHEMBL18756195 0.80 CCNC (0.45) CHRM1PTGDR2CCNCCDK8MAPK8
SCHEMBL18756172 0.76 CHRM1 (0.47) CHRM1
SCHEMBL21235227 0.75 CHRM1 (0.46) CHRM1
SCHEMBL18756524 0.75 CHRM1 (0.46) CHRM1
SCHEMBL18756139 0.73 CHRM1 (0.54) CHRM1
SCHEMBL18756112 0.73 CHRM1 (0.48) CHRM1
SCHEMBL18756029 0.73 CHRM1 (0.51) CHRM1PTGDR2
SCHEMBL18725465 0.73 CHRM1 (0.64) CHRM1

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
EP-3156397-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-04-19 — — EP disclosed
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