SCHEMBL7721118

SCHEMBL7721118

COc1ccc2nccc(CCC[C@@H]3CCN(CCCc4ccccc4C)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.52
CCR8 P51685 1/20 0.46

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
SCHEMBL7732115 0.98 KCNH2 (0.51) KCNH2
SCHEMBL7726581 0.97 KCNH2 (0.51) KCNH2
SCHEMBL7465494 0.92 KCNH2 (0.53) KCNH2
SCHEMBL7727455 0.92 KCNH2 (0.52) KCNH2
SCHEMBL7462927 0.92 CCR8 (0.54) KCNH2CCR8
Hydrochloric Acid SCHEMBL7721268 0.92 KCNH2 (0.53) KCNH2
SCHEMBL7721263 0.92 KCNH2 (0.51) KCNH2
SCHEMBL7726366 0.91 KCNH2 (0.54) KCNH2
SCHEMBL7726989 0.91 CCR8 (0.45) KCNH2CCR8
SCHEMBL7726303 0.90 CCR8 (0.44) KCNH2CCR8

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