SCHEMBL7521698

SCHEMBL7521698

OC[C@H](c1ccccc1)[n+]1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.39
HRH1 P35367 1/20 0.37
LMNA P02545 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GSR P00390 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
HTR2A P28223 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL7521700 1.00 TRPA1 (0.39) TRPA1HRH1LMNASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7922158 0.98 TRPA1 (0.38) TRPA1HRH1LMNASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7922157 0.98 TRPA1 (0.38) TRPA1HRH1LMNASLC6A2SLC6A4
SCHEMBL5282777 0.78 LMNA (0.45) TRPA1HRH1LMNATAAR1HTR2A
SCHEMBL11655728 0.74 CYP2C19 (0.46) TAAR1HTR2AKDM4EL3MBTL1
SCHEMBL14802083 0.72 POLB (0.41) LMNATAAR1HTR2AKDM4E
Hydrochloric Acid SCHEMBL28421235 0.72 CYP2C19 (0.44) TAAR1HTR2AKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL16144879 0.69 MEN1 (0.42) SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL193835 0.68 HTR2A (0.52) TRPA1HRH1LMNAGSRTAAR1
SCHEMBL1260 0.67 TRPA1 (0.68) TRPA1LMNATAAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937043-B1 NOVEL SUBSTITUTED TETRAHYDROPYRIDIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2002-03-06 EP disclosed
EP-0937043-A1 NOVEL SUBSTITUTED TETRAHYDROPYRIDIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-08-25 EP disclosed
WO-1998024765-A1 NOVEL SUBSTITUTED TETRAHYDROPYRIDIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1998-06-11 WO disclosed