SCHEMBL1128271

SCHEMBL1128271

O=C(NC(=O)C1(N2CCCCC2)CCNCC1)c1cc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CO

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.46
CNR2 P34972 14/20 0.46
MAPKAPK2 P49137 1/20 0.38

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
SCHEMBL1986300 0.77 CYP2C19 (0.47) CNR1CNR2
SCHEMBL1988812 0.72 CHRNA7 (0.47) CNR1CNR2
SCHEMBL1988289 0.71 ALDH1A1 (0.44) CNR1CNR2
SCHEMBL5795128 0.71 CNR1 (0.64) CNR1CNR2
SCHEMBL12563350 0.70 CYP2C19 (0.43) CNR1CNR2
SCHEMBL1128119 0.69 CNR1 (0.42) CNR1CNR2
SCHEMBL1989867 0.69 CYP2C19 (0.42) CNR1CNR2
SCHEMBL1985661 0.67 CYP2C19 (0.40) CNR1CNR2
SCHEMBL12563354 0.66 CNR1 (0.54) CNR1CNR2
SCHEMBL5922332 0.65 CNR1 (0.67) CNR1CNR2

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
EP-2283007-A2 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF Sanofi-aventis (FR) 2011-02-16 EP disclosed
WO-2009141532-A2 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-11-26 WO disclosed