SCHEMBL4753522

SCHEMBL4753522

Cc1cc(=O)n(-c2cnc(Cl)cn2)c(C2CCC(C(F)(F)F)CC2)n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.32
AVPR1A P37288 1/20 0.32
GRIA2 P42262 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
APLNR P35414 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
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
SCHEMBL4755765 0.84 CHRNB2 (0.34) SPRAVPR1A
SCHEMBL4755767 0.84 CHRNB2 (0.34) SPRAVPR1A
SCHEMBL4755651 0.82 SPR (0.32) SPRAVPR1AAPLNRPDE1APDE1B
SCHEMBL13985500 0.80 SPR (0.33) SPRAVPR1AGRIN1GRIN2AAPLNR
SCHEMBL4753494 0.80 SPR (0.33) SPRAVPR1AGRIN1GRIN2AAPLNR
SCHEMBL4755166 0.79 AVPR1A (0.39) AVPR1AKDM4E
SCHEMBL4755169 0.79 AVPR1A (0.39) AVPR1AKDM4E
SCHEMBL13985526 0.78 SPR (0.34) SPRMAPTPDE1APDE1BPDE1C
SCHEMBL4756541 0.78 SPR (0.34) SPRMAPTPDE1APDE1BPDE1C
SCHEMBL4756546 0.78 SPR (0.34) SPRMAPTPDE1APDE1BPDE1C

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