SCHEMBL4734637

SCHEMBL4734637

Cc1nc(C(=O)O)c(C)n1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
NOTUM Q6P988 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
LMNA P02545 3/20 0.35
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
SLC6A4 P31645 3/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
OGFRL1 Q5TC84 2/20 0.32
CYP11B2 P19099 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
HCAR1 Q9BXC0 2/20 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
SCHEMBL5038584 0.78 GRK6 (0.44) CNR2ALDH1A1MEN1KMT2AALOX15
SCHEMBL2681871 0.73 CNR2 (0.50) CNR2L3MBTL1ALDH1A1KMT2AHTR2A
SCHEMBL14525123 0.68 HTT (0.38) CNR2ALDH1A1
SCHEMBL19813131 0.67 HTT (0.45) NOTUML3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL16404216 0.66 CNR2 (1.00) CNR2MEN1KMT2A
SCHEMBL6690870 0.66 CNR2 (0.44) CNR2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL23441842 0.64 CDK9 (0.46) CNR2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL29954631 0.64 NOTUM (0.47) NOTUML3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL1714277 0.63 NOTUM (1.00) NOTUML3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL23068992 0.62 NOTUM (0.38) NOTUMALDH1A1MEN1KMT2AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed