SCHEMBL5367629

SCHEMBL5367629

CCc1c(C(=O)O)c(-c2ccc(C#N)cc2)c(C)n1Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.44
GRIA2 P42262 9/20 0.39
GRIA4 P48058 9/20 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
SCHEMBL5365950 0.90 AR (0.44) ARGRIA2GRIA4
SCHEMBL5359676 0.83 AR (0.53) AR
SCHEMBL5362447 0.76 AR (0.52) AR
SCHEMBL5367569 0.74 AR (0.57) AR
SCHEMBL5359896 0.72 AR (0.43) ARGRIA2GRIA4
SCHEMBL5358573 0.69 AR (0.54) ARGRIA2GRIA4
SCHEMBL5369671 0.68 AR (0.60) ARGRIA2GRIA4
SCHEMBL5365095 0.68 AR (0.65) ARGRIA2GRIA4
SCHEMBL6525379 0.68 AR (0.58) ARGRIA2GRIA4
SCHEMBL5359180 0.65 AR (0.54) ARGRIA2GRIA4

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-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed