SCHEMBL4708680

SCHEMBL4708680

CC(CNCc1ncccc1N(C(=O)O)c1cc2ccccc2s1)C1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.35
S1PR5 Q9H228 3/20 0.35
RORC P51449 2/20 0.34
OPRM1 P35372 2/20 0.34
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
CTSK P43235 1/20 0.33
FAAH O00519 1/20 0.31
ADORA2A P29274 1/20 0.31
ICMT O60725 1/20 0.30
TACR2 P21452 1/20 0.30
F2 P00734 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPY5R Q15761 1/20 0.30

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
SCHEMBL4707461 0.88 S1PR4 (0.36) S1PR4S1PR5RORCOPRM1CTSK
SCHEMBL4710096 0.85 OPRM1 (0.41) S1PR4S1PR5OPRM1
SCHEMBL4203597 0.84 RORC (0.35) RORCOPRM1KDM4CCTSKADORA2A
SCHEMBL14343792 0.77 OPRM1 (0.37) OPRM1NPY5R
SCHEMBL4709660 0.75 OPRM1 (0.41) S1PR4S1PR5OPRM1
SCHEMBL4189938 0.74 RORC (0.36) RORCOPRM1CTSKTACR2L3MBTL1
SCHEMBL4710095 0.71 GCK (0.36) OPRM1
SCHEMBL4708613 0.70 OPRM1 (0.40) S1PR4S1PR5OPRM1KDM4C
SCHEMBL4706830 0.69 OPRM1 (0.40) S1PR4S1PR5OPRM1L3MBTL1
SCHEMBL4190590 0.68 OPRM1 (0.36) OPRM1NPY5R

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