SCHEMBL5811340

SCHEMBL5811340

O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(Cc2ccc(Cl)c(Cl)c2)c2c1CCCC2

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.71
CNR1 P21554 5/20 0.71
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
P2RX7 Q99572 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5809664 0.88 CNR2 (0.56) CNR2CNR1SMN1; SMN2GAA
SCHEMBL13871396 0.88 CNR2 (0.59) CNR2CNR1HTTNPSR1MAPT
SCHEMBL5806477 0.83 CNR2 (0.48) CNR2CNR1HTTNPSR1MAPT
SCHEMBL5806769 0.81 CNR2 (0.96) CNR2CNR1
SCHEMBL5811567 0.81 CYP2C9 (0.48) CNR2CNR1MAPTSMN1; SMN2LMNA
SCHEMBL5822513 0.79 SMN1; SMN2 (0.48) CNR2CNR1HTTNPSR1MAPT
SCHEMBL14003108 0.77 CNR2 (0.71) CNR2CNR1
SCHEMBL5822464 0.76 CNR2 (0.85) CNR2CNR1
SCHEMBL300647 0.74 CNR2 (0.62) CNR2CNR1ALDH1A1P2RX7
SCHEMBL13871330 0.72 POLB (0.49) CNR2CNR1HTTNPSR1SMN1; SMN2

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