SCHEMBL4564002

SCHEMBL4564002

O=C(NC1CCC1)c1c(-c2nnc(C3(C(F)C(F)F)CC3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.60
CNR1 P21554 3/20 0.50

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
SCHEMBL4564243 0.90 CNR2 (0.62) CNR2
SCHEMBL4163002 0.87 CNR2 (0.60) CNR2CNR1
SCHEMBL4564001 0.86 CNR2 (0.62) CNR2CNR1
SCHEMBL4150970 0.84 CNR2 (0.79) CNR2CNR1
SCHEMBL4150941 0.84 CNR2 (0.62) CNR2CNR1
SCHEMBL4158384 0.83 CNR2 (0.70) CNR2
SCHEMBL4149740 0.83 CNR2 (0.58) CNR2CNR1
SCHEMBL4152323 0.82 CNR2 (0.73) CNR2
SCHEMBL4151940 0.81 CNR2 (0.73) CNR2
SCHEMBL4139550 0.81 CNR2 (0.73) CNR2

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-2009078498-A1 BIARYLPYRAZOLE 4-CARBOXAMIDES AS CANNABINOID CB1 RECEPTOR LIGANDS GREEN CROSS CORPORATION (KR) 2009-06-25 WO disclosed