SCHEMBL14280862

SCHEMBL14280862

O=c1n(CC(F)(F)F)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.42
CNR2 P34972 9/20 0.40
AVPR2 P30518 2/20 0.40
AVPR1A P37288 2/20 0.40

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
SCHEMBL4874621 0.89 CNR1 (0.40) CNR1CNR2AVPR2AVPR1A
SCHEMBL4870438 0.88 CNR1 (0.38) CNR1CNR2AVPR2AVPR1A
SCHEMBL4872141 0.85 AVPR2 (0.45) CNR1CNR2AVPR2AVPR1A
SCHEMBL4867917 0.81 CNR1 (0.56) CNR1AVPR2AVPR1A
SCHEMBL4867204 0.77 GAA (0.44) CNR1CNR2
SCHEMBL3551944 0.75 CNR1 (0.50) CNR1CNR2
SCHEMBL4873206 0.74 CNR1 (0.48) CNR1
SCHEMBL3551790 0.74 CNR1 (0.39) CNR1CNR2
SCHEMBL4867191 0.73 CNR1 (0.42) CNR1CNR2
SCHEMBL4871547 0.73 CNR1 (0.56) CNR1

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
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed