SCHEMBL6609327

SCHEMBL6609327

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

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.45
CCR8 P51685 1/20 0.38

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
SCHEMBL6606432 0.96 KCNH2 (0.41) KCNH2CCR8
SCHEMBL6605821 0.93 KCNH2 (0.48) KCNH2CCR8
SCHEMBL6606513 0.92 KCNH2 (0.46) KCNH2
SCHEMBL7723634 0.92 KCNH2 (0.47) KCNH2CCR8
SCHEMBL6605216 0.91 KCNH2 (0.47) KCNH2
SCHEMBL6608723 0.91 KCNH2 (0.46) KCNH2
SCHEMBL7720973 0.91 KCNH2 (0.47) KCNH2CCR8
SCHEMBL7720972 0.91 KCNH2 (0.47) KCNH2CCR8
SCHEMBL6605595 0.90 KCNH2 (0.44) KCNH2
SCHEMBL7731006 0.90 KCNH2 (0.57) 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