SCHEMBL4706830

SCHEMBL4706830

CC(CNCc1ncccc1OC(=O)Nc1cc2ccccc2s1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSP90AA1 P07900 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GCK P35557 1/20 0.34
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ALDH1A1 P00352 2/20 0.32
EPHX1 P07099 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
FPR1 P21462 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
SCHEMBL4707023 0.88 OPRM1 (0.39) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL4705791 0.86 OPRM1 (0.39) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL4706558 0.85 OPRM1 (0.39) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL4707356 0.85 OPRM1 (0.41) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL4706509 0.83 OPRM1 (0.36) OPRM1HCRTR1HCRTR2EPHX1HCAR1
SCHEMBL4190568 0.83 GCK (0.37) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL4707718 0.82 OPRM1 (0.40) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL4706330 0.78 AKT1 (0.36) OPRM1FPR1FPR2
SCHEMBL4710096 0.76 OPRM1 (0.41) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL4708771 0.75 KDM4C (0.40) OPRM1MEN1KMT2AGAAKDM4E

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