SCHEMBL4706509

SCHEMBL4706509

CC(CNCc1ccccc1OC(=O)Nc1cc2ccccc2s1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
S1PR4 O95977 2/20 0.35
S1PR5 Q9H228 2/20 0.35
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
PLAU P00749 1/20 0.34
EPHX1 P07099 1/20 0.33
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
HCAR1 Q9BXC0 1/20 0.33
CASP1 P29466 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
CES2 O00748 1/20 0.32

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
SCHEMBL4705791 0.86 OPRM1 (0.39) OPRM1S1PR4S1PR5EPHX1FPR1
SCHEMBL4706558 0.85 OPRM1 (0.39) OPRM1S1PR4S1PR5EPHX1FPR1
SCHEMBL4706330 0.84 AKT1 (0.36) OPRM1FPR1FPR2
SCHEMBL4706830 0.83 OPRM1 (0.40) OPRM1S1PR4S1PR5EPHX1FPR1
SCHEMBL4706438 0.83 F10 (0.40) OPRM1S1PR4S1PR5F9F10
SCHEMBL4707023 0.83 OPRM1 (0.39) OPRM1S1PR4S1PR5FPR1FPR2
Cyclopropane SCHEMBL4190988 0.82 EPHX1 (0.37) OPRM1EPHX1HCAR1TAS1R3TAS1R1
SCHEMBL4190982 0.81 HTR1A (0.36) OPRM1EPHX1FPR1FPR2HCAR1
SCHEMBL4707718 0.77 OPRM1 (0.40) OPRM1S1PR4S1PR5
SCHEMBL4708771 0.73 KDM4C (0.40) OPRM1S1PR4S1PR5F9F10

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