SCHEMBL4706330

SCHEMBL4706330

CC(CNCc1cnccc1OC(=O)Nc1cc2ccccc2s1)C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.36
CDK2 P24941 1/20 0.35
NAMPT P43490 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
UTS2R Q9UKP6 3/20 0.33
CHEK1 O14757 1/20 0.33
OPRM1 P35372 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PIM3 Q86V86 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
FPR1 P21462 2/20 0.32
FPR2 P25090 2/20 0.32
HDAC2 Q92769 1/20 0.32
PIM1 P11309 1/20 0.32
KDM1A O60341 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
SCHEMBL4706558 0.92 OPRM1 (0.39) CDK2OPRM1KDM4CFPR1FPR2
SCHEMBL4705791 0.86 OPRM1 (0.39) CDK2OPRM1KDM4CFPR1FPR2
SCHEMBL4197712 0.84 NAMPT (0.36) NAMPTUTS2RCHEK1KDM4CPIM3
SCHEMBL4706509 0.84 OPRM1 (0.36) OPRM1FPR1FPR2
Cyclohexane SCHEMBL4194020 0.81 KDM4C (0.38) NAMPTOPRM1KDM4CFPR1FPR2
SCHEMBL4186546 0.78 REN (0.36) OPRM1KDM4CFPR1FPR2HDAC2
SCHEMBL4708835 0.78 OPRM1 (0.40) OPRM1KDM4CPIM3PIM2HDAC2
SCHEMBL4706830 0.78 OPRM1 (0.40) OPRM1FPR1FPR2
SCHEMBL4707023 0.77 OPRM1 (0.39) OPRM1FPR1FPR2
SCHEMBL4708771 0.76 KDM4C (0.40) CDK2OPRM1KDM4CHDAC2

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