SCHEMBL7727686

SCHEMBL7727686

COc1ccc2nccc(CCC[C@@H]3CCN(CCCc4ccccn4)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.51
GPR39 O43194 1/20 0.47
CCR8 P51685 1/20 0.47

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
SCHEMBL7726187 0.98 KCNH2 (0.51) KCNH2GPR39CCR8
SCHEMBL7726366 0.92 KCNH2 (0.54) KCNH2
SCHEMBL7462927 0.91 CCR8 (0.54) KCNH2CCR8
SCHEMBL7732271 0.91 KCNH2 (0.50) KCNH2
SCHEMBL7721463 0.91 CCR8 (0.46) KCNH2GPR39CCR8
SCHEMBL7732814 0.90 CCR8 (0.46) KCNH2GPR39CCR8
SCHEMBL7732812 0.90 CCR8 (0.46) KCNH2GPR39CCR8
SCHEMBL7729108 0.90 KCNH2 (0.49) KCNH2
SCHEMBL7723721 0.90 KCNH2 (0.49) KCNH2CCR8
SCHEMBL7721118 0.90 KCNH2 (0.52) KCNH2CCR8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed