SCHEMBL4755651

SCHEMBL4755651

Cc1cc(=O)n(-c2cnc(Cl)nc2)c(C2CCC(C(F)(F)F)CC2)n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.32
AVPR1A P37288 1/20 0.32
APLNR P35414 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31

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 0.88 CHRNB2 (0.34) SPRAVPR1A
SCHEMBL4755767 0.88 CHRNB2 (0.34) SPRAVPR1A
SCHEMBL4789984 0.86 KCNH2 (0.32) SPRPDE1APDE1BPDE1C
SCHEMBL4755166 0.85 AVPR1A (0.39) AVPR1A
SCHEMBL4755169 0.85 AVPR1A (0.39) AVPR1A
SCHEMBL4753244 0.83 DRD2 (0.41) AVPR1A
SCHEMBL4753245 0.83 DRD2 (0.41) AVPR1A
SCHEMBL4755213 0.82 DRD1 (0.40)
SCHEMBL4755215 0.82 DRD1 (0.40)
SCHEMBL4755594 0.82 DRD1 (0.37) APLNR

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