SCHEMBL5823767

SCHEMBL5823767

O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(-c2ccc(F)c(F)c2)c2c1CCCC2

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.75
CNR1 P21554 7/20 0.75
UGCG Q16739 1/20 0.41
CYP2C9 P11712 1/20 0.39
GRIA2 P42262 1/20 0.39
EPHX2 P34913 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL5822464 0.86 CNR2 (0.85) CNR2CNR1UGCG
SCHEMBL5811776 0.86 CNR2 (0.75) CNR2CNR1EPHX2PTGS1PTGS2
SCHEMBL5806769 0.84 CNR2 (0.96) CNR2CNR1UGCG
SCHEMBL5795556 0.82 CNR2 (0.72) CNR2CNR1CYP2C9GRIA2
SCHEMBL5795272 0.82 CNR2 (0.69) CNR2CNR1
SCHEMBL14003108 0.79 CNR2 (0.71) CNR2CNR1
SCHEMBL5808694 0.75 CNR2 (0.68) CNR2CNR1UGCGEPHX2
SCHEMBL5808093 0.75 CNR2 (0.60) CNR2CNR1
SCHEMBL5811963 0.72 CNR2 (0.59) CNR2CNR1
SCHEMBL13871396 0.72 CNR2 (0.59) CNR2CNR1EPHX2

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-2006030124-A1 CONDENSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2006-03-23 WO disclosed