SCHEMBL7721045

SCHEMBL7721045

COc1ccc2nccc(CCC[C@@H]3CCN(CCSc4ccc(C(F)(F)F)cc4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.47

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
SCHEMBL7728595 0.97 KCNH2 (0.44) KCNH2
SCHEMBL7729195 0.94 KCNH2 (0.47) KCNH2
SCHEMBL7729200 0.94 KCNH2 (0.47) KCNH2
SCHEMBL7725190 0.94 KCNH2 (0.49) KCNH2
SCHEMBL7732549 0.93 KCNH2 (0.46) KCNH2
SCHEMBL7720867 0.92 KCNH2 (0.47) KCNH2
SCHEMBL7726883 0.92 KCNH2 (0.49) KCNH2
SCHEMBL7720564 0.92 KCNH2 (0.56) KCNH2
SCHEMBL7728561 0.92 KCNH2 (0.47) KCNH2
SCHEMBL6605182 0.92 KCNH2 (0.44) KCNH2

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-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed