SCHEMBL7455582

SCHEMBL7455582

COc1ccc2nccc([C@H](O)CC[C@@H]3CCNC[C@@H]3C(=O)OCCCc3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.53

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
SCHEMBL7468471 0.92 KCNH2 (0.45) KCNH2
SCHEMBL445791 0.86 KCNH2 (0.56) KCNH2
SCHEMBL447170 0.85 KCNH2 (0.63) KCNH2
SCHEMBL449363 0.85 KCNH2 (0.63) KCNH2
SCHEMBL444320 0.85 KCNH2 (0.63) KCNH2
SCHEMBL5007437 0.85 KCNH2 (0.63) KCNH2
SCHEMBL1587508 0.85 KCNH2 (0.63) KCNH2
SCHEMBL7460982 0.84 KCNH2 (0.51) KCNH2
SCHEMBL7461657 0.82 KDM4E (0.44) KCNH2
SCHEMBL445264 0.82 KCNH2 (0.55) 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-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Aventis Pharma S.A. (FR) 2002-07-03 EP disclosed
WO-2001025227-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-12 WO disclosed