SCHEMBL7720703

SCHEMBL7720703

COc1ccc2nccc(CCC[C@@H]3CCN(CCCSc4ccccc4F)C[C@@H]3CCC(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.44
CCR8 P51685 1/20 0.40

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
SCHEMBL7720706 1.00 KCNH2 (0.44) KCNH2CCR8
SCHEMBL7730350 0.97 KCNH2 (0.47) KCNH2
SCHEMBL7730356 0.97 KCNH2 (0.47) KCNH2
SCHEMBL7723827 0.95 KCNH2 (0.43) KCNH2
SCHEMBL7723829 0.95 KCNH2 (0.43) KCNH2
SCHEMBL7727349 0.94 KCNH2 (0.44) KCNH2CCR8
SCHEMBL7731126 0.93 KCNH2 (0.44) KCNH2CCR8
SCHEMBL7727156 0.93 KCNH2 (0.44) KCNH2
SCHEMBL7731129 0.93 KCNH2 (0.44) KCNH2CCR8
SCHEMBL7728984 0.93 KCNH2 (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