SCHEMBL13076759

SCHEMBL13076759

Nc1ccc2c(c1)nc(NCc1ccco1)c1ncc(-c3ccc(C(=O)NC4CC4)cc3)n12

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.48
MCHR1 Q99705 1/20 0.42

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
SCHEMBL122951 0.89 TTK (0.49) TTK
SCHEMBL169577 0.89 TTK (0.52) TTK
SCHEMBL6113491 0.89 TTK (0.49) TTK
SCHEMBL13077294 0.86 TTK (0.53) TTK
SCHEMBL13076766 0.85 TTK (0.50) TTK
SCHEMBL13077033 0.85 TTK (0.59) TTK
SCHEMBL13076761 0.85 TTK (0.53) TTK
SCHEMBL13077247 0.84 TTK (0.49) TTK
SCHEMBL13077303 0.84 TTK (0.57) TTK
SCHEMBL13077447 0.84 TTK (0.51) TTK

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
WO-2010124826-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-04 WO disclosed