SCHEMBL13114751

SCHEMBL13114751

CC(F)(F)c1ccc(Cn2nc3c(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)c(Cl)nn3c2=O)nc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.49
CYP2C9 P11712 5/20 0.38
CYP2C19 P33261 5/20 0.38
CYP3A4 P08684 4/20 0.38
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL13114674 0.92 CNR1 (0.50) CNR1CYP2C9CYP2C19CYP3A4LMNA
SCHEMBL3550428 0.80 CNR1 (0.59) CNR1CYP2C9CYP2C19CYP3A4LMNA
SCHEMBL4805900 0.78 CNR1 (0.62) CNR1CYP2C9CYP2C19CYP3A4LMNA
SCHEMBL13114732 0.78 CNR1 (0.45) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL13114750 0.76 CNR1 (0.52) CNR1CYP2C9CYP2C19CYP3A4LMNA
SCHEMBL5796174 0.76 CNR1 (0.54) CNR1CYP2C9CYP2C19CYP3A4LMNA
SCHEMBL13114741 0.76 CNR1 (0.59) CNR1CYP2C9CYP2C19CYP3A4LMNA
SCHEMBL14540420 0.75 CNR1 (0.60) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL14181067 0.75 CNR1 (0.70) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL4807441 0.75 CNR1 (0.70) CNR1CYP2C9CYP2C19CYP3A4

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
US-7816357-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed