SCHEMBL4710096

SCHEMBL4710096

CC(CNCc1ncccc1N(C(N)=O)c1cc2ccccc2s1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
ALOX5 P09917 5/20 0.34
CYP1A2 P05177 2/20 0.34
GAA P10253 2/20 0.34
PTGES O14684 1/20 0.34
LMNA P02545 1/20 0.34
LTA4H P09960 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
ALOX5AP P20292 1/20 0.34
LOX P28300 1/20 0.34
EPHX2 P34913 1/20 0.34
PTGS2 P35354 1/20 0.34
LTB4R Q15722 1/20 0.34
HRH2 P25021 5/20 0.34
HRH4 Q9H3N8 4/20 0.34
HRH3 Q9Y5N1 4/20 0.34
HRH1 P35367 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL4709660 0.89 OPRM1 (0.41) OPRM1ALOX5CYP1A2GAAPTGES
SCHEMBL4708680 0.85 S1PR4 (0.35) OPRM1S1PR4S1PR5
SCHEMBL4708613 0.85 OPRM1 (0.40) OPRM1ALOX5CYP1A2GAAPTGES
SCHEMBL4710095 0.84 GCK (0.36) OPRM1ALOX5CYP1A2GAAPTGES
SCHEMBL4707356 0.79 OPRM1 (0.41) OPRM1CYP1A2GAALMNAHPGD
SCHEMBL14343792 0.77 OPRM1 (0.37) OPRM1HPGDRECQLMEN1KMT2A
SCHEMBL4706830 0.76 OPRM1 (0.40) OPRM1GAADRD2HPGDRECQL
SCHEMBL4707718 0.75 OPRM1 (0.40) OPRM1CYP1A2GAALMNAHPGD
SCHEMBL4707461 0.73 S1PR4 (0.36) OPRM1MEN1KMT2ASMN1; SMN2S1PR4
SCHEMBL4707023 0.72 OPRM1 (0.39) OPRM1GAALMNADRD2HPGD

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-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed