SCHEMBL6606513

SCHEMBL6606513

COc1cccc(SCCN2CC[C@@H](CCCc3ccnc4ccc(OC)cc34)[C@@H](CO)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.46
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL6609981 0.96 KCNH2 (0.43) KCNH2MTNR1AMTNR1B
SCHEMBL6604981 0.95 KCNH2 (0.45) KCNH2
SCHEMBL6605821 0.95 KCNH2 (0.48) KCNH2MTNR1AMTNR1B
SCHEMBL6608043 0.94 KCNH2 (0.43) KCNH2
SCHEMBL6608856 0.94 KCNH2 (0.44) KCNH2
SCHEMBL7726563 0.94 KCNH2 (0.44) KCNH2
SCHEMBL6608723 0.93 KCNH2 (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL6610313 0.92 KCNH2 (0.43) KCNH2
SCHEMBL6604998 0.92 KCNH2 (0.43) KCNH2
SCHEMBL6609327 0.92 KCNH2 (0.45) 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