SCHEMBL11181532

SCHEMBL11181532

COC1=CC(=O)CN(Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
SIGMAR1 Q99720 4/20 0.47
GAA P10253 2/20 0.44
PAX8 Q06710 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
P4HB P07237 1/20 0.43
RAB9A P51151 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL13933158 0.85 DRD2 (0.45) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL13433740 0.79 GAA (0.47) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL31190634 0.76 ELANE (0.48) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL27920146 0.76 SIGMAR1 (0.51) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL18209820 0.76 SIGMAR1 (0.47) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL18209886 0.76 SIGMAR1 (0.47) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL3922841 0.76 SIGMAR1 (0.47) ALDH1A1KMT2ALMNASIGMAR1GAA
SCHEMBL18209839 0.75 SIGMAR1 (0.43) ALDH1A1MAPTKMT2AKDM4EMAPK1
SCHEMBL13933094 0.75 GAA (0.47) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL11185258 0.74 SIGMAR1 (0.46) ALDH1A1MAPTKMT2ALMNAMAPK1

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
US-4387230-A Process for preparing a dihydropyridine derivative JOHN WYETH AND BROTHER LIMITED (GB) 1983-06-07 US disclosed