SCHEMBL4710095

SCHEMBL4710095

CC(CC1CCCCC1)NCc1ncccc1N(C(N)=O)c1cc2ccccc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.36
OPRM1 P35372 1/20 0.36
REN P00797 1/20 0.35
ALOX5 P09917 5/20 0.34
CYP1A2 P05177 2/20 0.34
PTGES O14684 1/20 0.34
LMNA P02545 1/20 0.34
LTA4H P09960 1/20 0.34
GAA P10253 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
METAP2 P50579 2/20 0.34
METAP1 P53582 2/20 0.34
CCR1 P32246 1/20 0.34
HPGD P15428 2/20 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
SCHEMBL14343792 0.93 OPRM1 (0.37) GCKOPRM1RENMETAP2METAP1
SCHEMBL4203597 0.85 RORC (0.35) GCKOPRM1
SCHEMBL4708612 0.84 REN (0.38) OPRM1RENALOX5CYP1A2PTGES
SCHEMBL4710096 0.84 OPRM1 (0.41) OPRM1ALOX5CYP1A2PTGESLMNA
SCHEMBL4190590 0.84 OPRM1 (0.36) GCKOPRM1RENMETAP2METAP1
SCHEMBL14343961 0.80 OPRM1 (0.36) GCKOPRM1RENLMNAMETAP2
SCHEMBL14344036 0.80 OPRM1 (0.36) GCKOPRM1RENMETAP2METAP1
SCHEMBL4707353 0.80 CNR1 (0.36) GCKOPRM1RENGAAMETAP2
SCHEMBL4195720 0.78 KDM4C (0.38) GCKOPRM1RENMETAP2METAP1
SCHEMBL14343860 0.78 KDM4C (0.38) GCKOPRM1RENMETAP2METAP1

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