SCHEMBL7731006

SCHEMBL7731006

COc1ccc2nccc(CCC[C@@H]3CCN(CCSc4cccnc4)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.57

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
SCHEMBL7720499 0.96 KCNH2 (0.53) KCNH2
SCHEMBL6606611 0.93 KCNH2 (0.60) KCNH2
SCHEMBL7732433 0.93 KCNH2 (0.56) KCNH2
SCHEMBL7725735 0.92 KCNH2 (0.59) KCNH2
SCHEMBL7723634 0.92 KCNH2 (0.47) KCNH2
SCHEMBL7726916 0.91 KCNH2 (0.59) KCNH2
SCHEMBL7725404 0.91 KCNH2 (0.59) KCNH2
SCHEMBL7720973 0.91 KCNH2 (0.47) KCNH2
SCHEMBL7720972 0.91 KCNH2 (0.47) KCNH2
SCHEMBL7728328 0.91 KCNH2 (0.56) 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