SCHEMBL6661380

SCHEMBL6661380

COc1ccc2nccc([C@H](N)CCC3CCN(CCSc4cccs4)C[C@H]3C(=O)O)c2c1

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.87

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
SCHEMBL6659259 1.00 KCNH2 (0.87) KCNH2
SCHEMBL6659264 1.00 KCNH2 (0.87) KCNH2
SCHEMBL6659272 1.00 KCNH2 (0.87) KCNH2
SCHEMBL6661376 1.00 KCNH2 (0.87) KCNH2
SCHEMBL6705069 1.00 KCNH2 (0.87) KCNH2
SCHEMBL6323427 0.93 KCNH2 (1.00) KCNH2
SCHEMBL5853749 0.93 KCNH2 (1.00) KCNH2
SCHEMBL5854175 0.93 KCNH2 (1.00) KCNH2
SCHEMBL6606141 0.93 KCNH2 (1.00) KCNH2
SCHEMBL6605607 0.92 KCNH2 (0.86) 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
WO-2004011454-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES, PREPARATION METHOD AND INTERMEDIATES AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2004-02-05 WO disclosed