SCHEMBL2568495

SCHEMBL2568495

Cn1c(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(OCCCCl)cc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.54
CYP2C19 P33261 3/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL2567965 0.95 CNR1 (0.53) CNR1CYP2C19GAALMNAUSP2
SCHEMBL1127743 0.95 CNR1 (0.53) CNR1CYP2C19GAALMNAUSP2
SCHEMBL1986400 0.95 CNR1 (0.53) CNR1CYP2C19GAALMNAUSP2
SCHEMBL1989137 0.95 CNR1 (0.53) CNR1CYP2C19GAALMNAUSP2
SCHEMBL1989851 0.94 CNR1 (0.53) CNR1CYP2C19GAALMNAUSP2
SCHEMBL1128279 0.93 CNR1 (0.55) CNR1CYP2C19GAALMNAUSP2
SCHEMBL1988428 0.92 CNR1 (0.53) CNR1CYP2C19GAALMNAUSP2
SCHEMBL1986717 0.91 CNR1 (0.52) CNR1CYP2C19GAALMNAUSP2
SCHEMBL1985670 0.90 CNR1 (0.67) CNR1CYP2C19GAALMNAUSP2
SCHEMBL2560778 0.90 CNR1 (0.53) CNR1CYP2C19GAALMNAUSP2

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
US-8383666-B2 Pyrrole derivatives, preparation of same and therapeutic application thereof SANOFI (FR) 2013-02-26 US disclosed
EP-2283008-B1 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2011-11-02 EP disclosed