SCHEMBL7729030

SCHEMBL7729030

COc1ccc2nccc(CCCC3CCN(CCSc4cccc(F)c4)CC3CCC(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 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
SCHEMBL7729027 1.00 KCNH2 (0.47) KCNH2
SCHEMBL7732124 0.97 KCNH2 (0.43) KCNH2
SCHEMBL7732127 0.97 KCNH2 (0.43) KCNH2
SCHEMBL7726495 0.94 KCNH2 (0.48) KCNH2
SCHEMBL7726490 0.94 KCNH2 (0.48) KCNH2
SCHEMBL6606210 0.94 KCNH2 (0.47) KCNH2
Hydrochloric Acid SCHEMBL7721891 0.93 KCNH2 (0.47) KCNH2
SCHEMBL7726458 0.93 KCNH2 (0.47) KCNH2
SCHEMBL7726462 0.93 KCNH2 (0.47) KCNH2
SCHEMBL7728100 0.92 KCNH2 (0.46) 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