SCHEMBL4707461

SCHEMBL4707461

CC(CNCc1ccccc1N(C(=O)O)c1cc2ccccc2s1)C1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 5/20 0.36
S1PR5 Q9H228 4/20 0.36
RORC P51449 2/20 0.36
OPRM1 P35372 2/20 0.35
CTSK P43235 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
TACR2 P21452 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPY2R P49146 1/20 0.31

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
SCHEMBL4708680 0.88 S1PR4 (0.35) S1PR4S1PR5RORCOPRM1CTSK
SCHEMBL4189938 0.83 RORC (0.36) RORCOPRM1CTSKL3MBTL1TACR2
SCHEMBL4195715 0.78 KMT2A (0.35) OPRM1L3MBTL1KMT2ANPY2R
SCHEMBL14343993 0.76 OPRM1 (0.34) OPRM1L3MBTL1KMT2ANPY2R
SCHEMBL4709660 0.75 OPRM1 (0.41) S1PR4S1PR5OPRM1MEN1KMT2A
SCHEMBL4708613 0.74 OPRM1 (0.40) S1PR4S1PR5OPRM1MEN1KMT2A
SCHEMBL4203597 0.73 RORC (0.35) RORCOPRM1CTSKTACR2
SCHEMBL4710096 0.73 OPRM1 (0.41) S1PR4S1PR5OPRM1MEN1KMT2A
SCHEMBL4706438 0.70 F10 (0.40) S1PR4S1PR5OPRM1
SCHEMBL4706509 0.67 OPRM1 (0.36) S1PR4S1PR5OPRM1

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