SCHEMBL1127923

SCHEMBL1127923

Cn1c(C(=O)NC(=O)C2CCN(C3CCNCC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(OCCCN)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.40
CNR1 P21554 5/20 0.34
PRKAB2 O43741 2/20 0.34
PRKAG1 P54619 2/20 0.34
PRKAA2 P54646 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAG3 Q9UGI9 2/20 0.34
PRKAG2 Q9UGJ0 2/20 0.34
PRKAB1 Q9Y478 2/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL2569129 0.79 CNR1 (0.38) CNR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1128278 0.71 CNR1 (0.39) CNR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1985672 0.68 PRKAB2 (0.47) CNR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1986400 0.68 CNR1 (0.53) CNR1
SCHEMBL14713225 0.65 CNR1 (0.43) CNR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1260985 0.64 CNR1 (0.59) CNR1
SCHEMBL1128119 0.63 CNR1 (0.42) CNR1
SCHEMBL1260019 0.62 CNR1 (0.68) CNR1HTR2A
SCHEMBL2568495 0.62 CNR1 (0.54) CNR1
SCHEMBL1127889 0.62 CNR1 (0.40) CNR1

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-2283008-A2 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF Sanofi-aventis (FR) 2011-02-16 EP disclosed
WO-2009141533-A2 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-11-26 WO disclosed