SCHEMBL4753494

SCHEMBL4753494

Cc1cc(=O)n(-c2ncc(Cl)s2)c(C2CCC(C(F)(F)F)CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.33
AVPR1A P37288 1/20 0.33
MCHR1 Q99705 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
APLNR P35414 1/20 0.31
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 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
SCHEMBL13985500 1.00 SPR (0.33) SPRAVPR1AMCHR1GRIN1GRIN2A
SCHEMBL13985526 0.89 SPR (0.34) SPRPDE1APDE1BPDE1C
SCHEMBL4756541 0.89 SPR (0.34) SPRPDE1APDE1BPDE1C
SCHEMBL4756546 0.89 SPR (0.34) SPRPDE1APDE1BPDE1C
SCHEMBL4755651 0.82 SPR (0.32) SPRAVPR1AAPLNRPDE1APDE1B
SCHEMBL13985521 0.81 SPR (0.34) SPR
SCHEMBL4753450 0.81 SPR (0.34) SPR
SCHEMBL4753522 0.80 SPR (0.32) SPRAVPR1AGRIN1GRIN2AAPLNR
SCHEMBL4755767 0.80 CHRNB2 (0.34) SPRAVPR1AMCHR1
SCHEMBL4755765 0.80 CHRNB2 (0.34) SPRAVPR1AMCHR1

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