SCHEMBL4755767

SCHEMBL4755767

Cc1cc(=O)n(-c2ccc(Cl)nc2)c(C2CCC(C(F)(F)F)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
PIK3CA P42336 2/20 0.34
AVPR1A P37288 1/20 0.33
USP14 P54578 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
SPR P35270 2/20 0.31
MAT2A P31153 1/20 0.31
MCHR1 Q99705 1/20 0.30

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
SCHEMBL4755765 1.00 CHRNB2 (0.34) CHRNB2CHRNA4PIK3CAAVPR1AUSP14
SCHEMBL4755651 0.88 SPR (0.32) AVPR1ASPR
SCHEMBL4755169 0.87 AVPR1A (0.39) AVPR1AMCHR1
SCHEMBL4755166 0.87 AVPR1A (0.39) AVPR1AMCHR1
SCHEMBL13985224 0.85 TBK1 (0.33) CHRNB2CHRNA4PIK3CAAVPR1AUSP14
SCHEMBL4755592 0.84 DRD1 (0.37) MAT2A
SCHEMBL4755594 0.84 DRD1 (0.37) MAT2A
SCHEMBL4753522 0.84 SPR (0.32) AVPR1ASPR
SCHEMBL4755659 0.83 MEN1 (0.39) MCHR1
SCHEMBL4755656 0.83 MEN1 (0.39) MCHR1

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-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO claimed