SCHEMBL6606257

SCHEMBL6606257

COc1ccc2nccc(CCC[C@@H]3CCN(CCCSc4ccc(C(F)(F)F)cc4)C[C@@H]3CO)c2c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.41
CCR3 P51677 1/20 0.37

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
SCHEMBL6605182 0.96 KCNH2 (0.44) KCNH2
SCHEMBL6604185 0.93 KCNH2 (0.43) KCNH2CCR3
SCHEMBL6605926 0.92 KCNH2 (0.40) KCNH2
SCHEMBL6605455 0.92 CCR3 (0.44) KCNH2CCR3
SCHEMBL6605618 0.92 KCNH2 (0.43) KCNH2
SCHEMBL7725742 0.92 KCNH2 (0.44) KCNH2
SCHEMBL7725745 0.92 KCNH2 (0.44) KCNH2
SCHEMBL7728595 0.92 KCNH2 (0.44) KCNH2
SCHEMBL6604263 0.91 KCNH2 (0.41) KCNH2
SCHEMBL6609648 0.91 KCNH2 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218370-B1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2004-12-08 EP disclosed
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed