SCHEMBL7726764

SCHEMBL7726764

COc1ccc2nccc(CCC[C@@H]3CCN(CCSc4cccc(F)n4)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.55

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
SCHEMBL7721667 0.97 KCNH2 (0.52) KCNH2
SCHEMBL7733279 0.92 KCNH2 (0.47) KCNH2
SCHEMBL6604534 0.91 KCNH2 (0.59) KCNH2
Hydrochloric Acid SCHEMBL7725327 0.90 KCNH2 (0.58) KCNH2
SCHEMBL7728138 0.89 KCNH2 (0.57) KCNH2
SCHEMBL7721113 0.89 KCNH2 (0.57) KCNH2
SCHEMBL7724594 0.89 KCNH2 (0.43) KCNH2
SCHEMBL6608760 0.88 KCNH2 (0.56) KCNH2
SCHEMBL7727968 0.88 KCNH2 (0.56) KCNH2
SCHEMBL7725735 0.88 KCNH2 (0.59) 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