SCHEMBL20063986

SCHEMBL20063986

C/C=C/C=N\c1c(C)cccc1OC1CCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CARM1 Q86X55 2/20 0.32
PRMT1 Q99873 2/20 0.32
HPGD P15428 1/20 0.31
HRH1 P35367 2/20 0.31
S1PR5 Q9H228 1/20 0.31
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL20064028 0.81 GAA (0.30)
SCHEMBL20064634 0.81 HTR4 (0.36) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL20065561 0.79
SCHEMBL20064536 0.77
SCHEMBL10890032 0.75 MEN1 (0.36)
SCHEMBL10890035 0.75 MEN1 (0.36)
SCHEMBL13696497 0.70 SLC6A2 (0.49) SLC6A2SLC6A4HRH1HTR2CHTR2B
SCHEMBL11586746 0.70 MCHR1 (0.46) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL10525480 0.69 SLC6A2 (0.47) MCHR1SLC6A2SLC6A4CARM1PRMT1
SCHEMBL12760855 0.67 PDE4D (0.47) MCHR1PDE4APDE4BPDE4CPDE4D

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-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed