SCHEMBL9837343

SCHEMBL9837343

NC/C=C/CN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.68
LMNA P02545 6/20 0.68
OPRM1 P35372 5/20 0.68
HIF1A Q16665 4/20 0.68
CYP2D6 P10635 4/20 0.68
CYP3A4 P08684 3/20 0.68
NPSR1 Q6W5P4 3/20 0.68
MAPK1 P28482 3/20 0.68
CHRM2 P08172 3/20 0.68
CHRM4 P08173 3/20 0.68
CHRM5 P08912 3/20 0.68
ADRA2A P08913 3/20 0.68
ADORA3 P0DMS8 3/20 0.68
CHRM1 P11229 3/20 0.68
CHRM3 P20309 3/20 0.68
DRD1 P21728 3/20 0.68
ADRA1D P25100 3/20 0.68
HTR2A P28223 3/20 0.68
HRH1 P35367 3/20 0.68
DRD3 P35462 3/20 0.68

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
SCHEMBL9837345 1.00 OPRD1 (0.68) OPRD1LMNAOPRM1HIF1ACYP2D6
SCHEMBL1137893 0.84 OPRD1 (0.68) OPRD1LMNAOPRM1HIF1ACYP2D6
SCHEMBL1137896 0.84 OPRD1 (0.68) OPRD1LMNAOPRM1HIF1ACYP2D6
Cinnarizine SCHEMBL16225873 0.81 LMNA (1.00) OPRD1LMNAOPRM1HIF1ACYP2D6
Cinnarizine SCHEMBL44958 0.81 LMNA (1.00) OPRD1LMNAOPRM1HIF1ACYP2D6
Cinnarizine SCHEMBL44957 0.81 LMNA (1.00) OPRD1LMNAOPRM1HIF1ACYP2D6
Cinnarizine SCHEMBL1815115 0.81 LMNA (1.00) OPRD1LMNAOPRM1HIF1ACYP2D6
SCHEMBL14367172 0.81 OPRD1 (0.63) OPRD1LMNAOPRM1HIF1ACYP2D6
Cinnarizine SCHEMBL3731524 0.80 LMNA (0.97) OPRD1LMNAOPRM1HIF1ACYP2D6
Cinnarizine SCHEMBL10936878 0.80 LMNA (0.97) OPRD1LMNAOPRM1HIF1ACYP2D6

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-0210782-B1 PYRIDINE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1991-04-17 EP disclosed
US-4778796-A ω-(3-pyridyl)alkenamide derivatives and anti-allergenic pharmaceutical compositions containing same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1988-10-18 US disclosed
EP-0210782-A2 Pyridine compounds, process for the preparation thereof and pharmaceutical composition containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-02-04 EP disclosed