SCHEMBL22005759

SCHEMBL22005759

ICCCNCCCN1CCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.50
SCN5A Q14524 2/20 0.49
KDM1A O60341 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
MAPT P10636 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL21727223 0.94 SCN5A (0.51) HRH3SCN5AKDM1ASMN1; SMN2LMNA
SCHEMBL18568496 0.92 HRH3 (0.52) HRH3SCN5AKDM1ASMN1; SMN2LMNA
SCHEMBL5911217 0.89 HRH3 (0.62) HRH3SCN5AKDM1ASMN1; SMN2LMNA
SCHEMBL4381194 0.87 HRH3 (0.59) HRH3SCN5AKDM1ASMN1; SMN2LMNA
SCHEMBL5910693 0.87 HRH3 (0.57) HRH3SCN5AKDM1ASMN1; SMN2LMNA
SCHEMBL13661585 0.85 HRH3 (0.56) HRH3SCN5AKDM1ASMN1; SMN2LMNA
SCHEMBL17526233 0.84 HRH3 (0.55) HRH3SCN5AKDM1ASMN1; SMN2LMNA
SCHEMBL17526224 0.84 HRH3 (0.55) HRH3SCN5AKDM1ASMN1; SMN2LMNA
SCHEMBL8309175 0.83 HRH3 (0.50) HRH3SCN5AKDM1ASMN1; SMN2LMNA
SCHEMBL739192 0.82 HRH3 (0.65) HRH3SMN1; SMN2CARM1PRMT6PRMT8

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
EP-3135672-B9 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC (US) 2020-05-20 EP disclosed