SCHEMBL4146032

SCHEMBL4146032

CC(C)NC(=O)c1c(-c2nnc(C(C)(C)C)s2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.64
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
KCNH2 Q12809 1/20 0.46

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
SCHEMBL4563826 0.89 CNR2 (0.60) CNR2CYP1A2CYP2C9KCNH2
SCHEMBL923050 0.88 CNR2 (0.70) CNR2CYP1A2CYP2C9KCNH2
SCHEMBL4439985 0.88 CNR2 (0.60) CNR2CYP1A2CYP2C9
SCHEMBL4435979 0.88 CNR2 (0.60) CNR2CYP1A2CYP2C9
SCHEMBL4002918 0.87 CNR2 (0.71) CNR2CYP1A2CYP2C9KCNH2
SCHEMBL4144084 0.87 CNR2 (0.62) CNR2CYP1A2CYP2C9KCNH2
SCHEMBL4148446 0.87 CNR2 (0.60) CNR2CYP1A2CYP2C9
SCHEMBL4148369 0.87 CNR2 (0.60) CNR2CYP1A2CYP2C9
SCHEMBL4564054 0.85 CNR2 (0.60) CNR2CYP1A2CYP2C9KCNH2
SCHEMBL925340 0.85 CNR2 (0.61) CNR2CYP1A2CYP2C9KCNH2

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