SCHEMBL4755829

SCHEMBL4755829

Cc1cc(=O)n(-c2ccc(F)c(F)c2)c([C@H]2CC[C@@H](C(F)(F)F)CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.33
AVPR1A P37288 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
PIK3CA P42336 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
PRCP P42785 1/20 0.32
CHRM5 P08912 1/20 0.32
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
DHFR P00374 1/20 0.31
PDE2A O00408 1/20 0.31
KCNH2 Q12809 2/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
TSHR P16473 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
SCHEMBL4755836 1.00 PHGDH (0.33) PHGDHAVPR1ATRPV3PIK3CAPDE4B
SCHEMBL4755659 0.88 MEN1 (0.39) SMN1; SMN2
SCHEMBL4755656 0.88 MEN1 (0.39) SMN1; SMN2
SCHEMBL4755169 0.87 AVPR1A (0.39) AVPR1ASMN1; SMN2KCNH2
SCHEMBL4755166 0.87 AVPR1A (0.39) AVPR1ASMN1; SMN2KCNH2
SCHEMBL4755594 0.87 DRD1 (0.37) SMN1; SMN2
SCHEMBL4755592 0.87 DRD1 (0.37) SMN1; SMN2
SCHEMBL4753245 0.85 DRD2 (0.41) AVPR1ANR1H2NR1H3SMN1; SMN2KCNH2
SCHEMBL4753244 0.85 DRD2 (0.41) AVPR1ANR1H2NR1H3SMN1; SMN2KCNH2
SCHEMBL13985302 0.85 TSHR (0.31) AVPR1ANR1H2NR1H3TSHR

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