SCHEMBL18079661

SCHEMBL18079661

CCC[C@@H](O)c1cccc(OCC2CCCCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.41
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ MCHR1 Q99705 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL15215038 1.00 CNR2 (0.41) CNR2CCNA2CDK2CCNA1MCHR1
SCHEMBL15215050 1.00 CNR2 (0.41) CNR2CCNA2CDK2CCNA1MCHR1
SCHEMBL18079658 0.99 CNR2 (0.40) CNR2CCNA2CDK2CCNA1MCHR1
SCHEMBL15134558 0.88 CNR2 (0.41) CNR2CCNA2CDK2CCNA1MCHR1
SCHEMBL15134570 0.88 CNR2 (0.41) CNR2CCNA2CDK2CCNA1MCHR1
SCHEMBL15129091 0.88 CNR2 (0.41) CNR2CCNA2CDK2CCNA1MCHR1
SCHEMBL15134551 0.86 CNR2 (0.40) CNR2CCNA2CDK2CCNA1MCHR1
SCHEMBL18079652 0.82 FFAR4 (0.38) MCHR1
SCHEMBL18079659 0.82 FFAR4 (0.38) MCHR1
SCHEMBL15128996 0.81 CNR2 (0.41) CNR2CCNA2CDK2CCNA1MCHR1

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
US-9447078-B2 Substituted heterocyclic compounds for disease treatment ACUCELA INC. (US) 2016-09-20 — — US disclosed
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