SCHEMBL4707353

SCHEMBL4707353

CC(CC1CCCCC1)NCc1ncccc1NC(=O)Oc1cc2ccccc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.36
CNR2 P34972 2/20 0.36
GCK P35557 5/20 0.36
OPRM1 P35372 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 2/20 0.35
REN P00797 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
MAPK8 P45983 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 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
SCHEMBL14343589 0.92 CNR1 (0.38) CNR1CNR2GCK
SCHEMBL4707716 0.87 GCK (0.35) CNR1CNR2GCKOPRM1MEN1
SCHEMBL4194046 0.87 HTR1A (0.36) CNR1CNR2GCKOPRM1MEN1
SCHEMBL4708832 0.85 KDM4C (0.38) CNR1CNR2GCKOPRM1MEN1
SCHEMBL4190568 0.85 GCK (0.37) GCKOPRM1MEN1KMT2AKDM4E
SCHEMBL4708769 0.85 KDM4C (0.40) CNR1CNR2GCKOPRM1MEN1
SCHEMBL4707356 0.83 OPRM1 (0.41) CNR1CNR2OPRM1MEN1KMT2A
SCHEMBL4706437 0.83 KDM4E (0.35) OPRM1KMT2AKDM4EALDH1A1NPY5R
SCHEMBL14343792 0.81 OPRM1 (0.37) CNR1GCKOPRM1MEN1KMT2A
SCHEMBL4194935 0.81 REN (0.35) CNR1GCKOPRM1MEN1KMT2A

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