SCHEMBL5811700

SCHEMBL5811700

O=C(NCC1CCCCC1)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCCC2

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.61
CNR1 P21554 14/20 0.61
UGCG Q16739 2/20 0.53
P2RX7 Q99572 1/20 0.49
RIPK1 Q13546 1/20 0.45

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
SCHEMBL5811399 0.78 CNR1 (0.65) CNR2CNR1UGCG
SCHEMBL5811149 0.76 CNR1 (0.59) CNR2CNR1UGCG
SCHEMBL5812049 0.76 CNR1 (0.69) CNR2CNR1UGCG
SCHEMBL13889288 0.75 USP30 (0.48) CNR2CNR1RIPK1
SCHEMBL2717254 0.74 CNR2 (0.65) CNR2CNR1RIPK1
SCHEMBL5806769 0.73 CNR2 (0.96) CNR2CNR1UGCG
SCHEMBL5811315 0.73 CNR1 (0.55) CNR2CNR1UGCG
SCHEMBL10479702 0.71 UGCG (0.55) CNR2CNR1UGCG
SCHEMBL2715804 0.71 HTR4 (0.49) CNR2CNR1RIPK1
SCHEMBL5808802 0.70 CNR1 (0.56) CNR2CNR1UGCG

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 claimed