SCHEMBL4148446

SCHEMBL4148446

CC(C)(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Br)cc3)c2C(=O)NC2CCCCC2)s1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.60
CNR1 P21554 4/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL4148369 1.00 CNR2 (0.60) CNR2CNR1CYP1A2CYP2C9
SCHEMBL4439985 0.99 CNR2 (0.60) CNR2CNR1CYP1A2CYP2C9
SCHEMBL4435979 0.98 CNR2 (0.60) CNR2CNR1CYP1A2CYP2C9
SCHEMBL4144084 0.96 CNR2 (0.62) CNR2CNR1CYP1A2CYP2C9
SCHEMBL4146032 0.87 CNR2 (0.64) CNR2CYP1A2CYP2C9
SCHEMBL923050 0.85 CNR2 (0.70) CNR2CYP1A2CYP2C9
SCHEMBL4151940 0.84 CNR2 (0.73) CNR2
SCHEMBL4139550 0.84 CNR2 (0.73) CNR2
SCHEMBL4002918 0.84 CNR2 (0.71) CNR2CYP1A2CYP2C9
SCHEMBL4152323 0.83 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 2 patents. 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 claimed
WO-2009078498-A1 BIARYLPYRAZOLE 4-CARBOXAMIDES AS CANNABINOID CB1 RECEPTOR LIGANDS GREEN CROSS CORPORATION (KR) 2009-06-25 WO disclosed