SCHEMBL29486335

SCHEMBL29486335

CC1CC(N)Cc2c1[nH]c1ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.51
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 2/20 0.45
HSD17B10 Q99714 1/20 0.45
CHRNA7 P36544 1/20 0.43
MAPK10 P53779 1/20 0.43
RIPK1 Q13546 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
BRD3 Q15059 1/20 0.41

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
SCHEMBL21754369 0.76 NR2E1 (0.75) NR2E1KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL4084559 0.75 SSTR3 (0.50)
SCHEMBL14584257 0.73 BRD3 (0.57) CHRNA7HPGDADRA1DADRA1AADRA1B
SCHEMBL5229700 0.72 MEN1 (0.47) NR2E1MEN1KMT2AKDM4ETSHR
SCHEMBL7088610 0.71 BRD3 (0.67) MEN1KMT2AHSD17B10CHRNA7ADRA1D
SCHEMBL18932895 0.71 TAAR1 (0.49) NR2E1MEN1KMT2AKDM4ETSHR
SCHEMBL10749016 0.71 MEN1 (0.45) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL18212309 0.71 KDM4E (0.60) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL18212307 0.71 KDM4E (0.60) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL24830799 0.70 ADRA1D (0.46) MEN1KMT2AKDM4ETSHRHTT

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-2022046605-A1 COMPOSITIONS AND METHODS FOR G-PROTEIN-COUPLED RECEPTOR 44 DETECTION CITY OF HOPE (US) 2022-03-03 WO disclosed