SCHEMBL4756546

SCHEMBL4756546

Cc1cc(=O)n(-c2ncc(C)s2)c([C@H]2CC[C@H](C(F)(F)F)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPR P35270 6/20 0.34
CNR1 P21554 1/20 0.34
RAB9A P51151 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
CHRNA7 P36544 2/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4756541 1.00 SPR (0.34) SPRCNR1RAB9APDE1APDE1B
SCHEMBL13985526 1.00 SPR (0.34) SPRCNR1RAB9APDE1APDE1B
SCHEMBL13985500 0.89 SPR (0.33) SPRPDE1APDE1BPDE1C
SCHEMBL4753494 0.89 SPR (0.33) SPRPDE1APDE1BPDE1C
SCHEMBL13985521 0.83 SPR (0.34) SPRCNR1MAPTL3MBTL1
SCHEMBL4753450 0.83 SPR (0.34) SPRCNR1MAPTL3MBTL1
SCHEMBL4755651 0.80 SPR (0.32) SPRPDE1APDE1BPDE1C
SCHEMBL4753522 0.78 SPR (0.32) SPRPDE1APDE1BPDE1CMAPT
SCHEMBL4755215 0.78 DRD1 (0.40)
SCHEMBL4755594 0.78 DRD1 (0.37) RAB9AMAPT

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 disclosed