SCHEMBL5225720

SCHEMBL5225720

COc1ccc2ncc(F)c(CCC[C@@H]3CCN(CCSc4cccs4)C[C@H]3CC(=O)O)c2c1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.72

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
SCHEMBL5222734 1.00 KCNH2 (0.72) KCNH2
SCHEMBL5222740 1.00 KCNH2 (0.72) KCNH2
Hydrochloric Acid SCHEMBL6801439 0.99 KCNH2 (0.71) KCNH2
Hydrochloric Acid SCHEMBL6801105 0.99 KCNH2 (0.71) KCNH2
Hydrochloric Acid SCHEMBL6800805 0.99 KCNH2 (0.71) KCNH2
Hydrochloric Acid SCHEMBL6801429 0.99 KCNH2 (0.71) KCNH2
Hydrochloric Acid SCHEMBL6801108 0.99 KCNH2 (0.71) KCNH2
SCHEMBL6144144 0.92 KCNH2 (0.60) KCNH2
SCHEMBL6144138 0.92 KCNH2 (0.60) KCNH2
SCHEMBL6798813 0.92 KCNH2 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370550-B1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES, THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME NOVEXEL (FR) 2007-05-23 EP disclosed
EP-1370550-A1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES, THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2003-12-17 EP disclosed
WO-2002072572-A1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES, THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2002-09-19 WO disclosed