SCHEMBL8906602

SCHEMBL8906602

CCc1nc2ccc(N3CCCN(Cc4ccccc4)C3=O)cc2n1-c1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.34
ROCK2 O75116 2/20 0.33
BRD4 O60885 8/20 0.31

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
SCHEMBL8906566 0.95 TAS2R8 (0.33) TAS2R8ROCK2
SCHEMBL8906968 0.94
SCHEMBL8907061 0.84 AGTR1 (0.38) TAS2R8BRD4
SCHEMBL9096116 0.81 AGTR1 (0.39)
SCHEMBL8907406 0.81 LMNA (0.33)
SCHEMBL8905606 0.81
SCHEMBL8905232 0.80
SCHEMBL8906471 0.80 AGTR1 (0.43) TAS2R8BRD4
SCHEMBL8905649 0.79 AGT (0.41) TAS2R8
SCHEMBL9096342 0.78 PPARG (0.45)

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-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed