SCHEMBL9844348

SCHEMBL9844348

O=C(O)CCCN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.75
DRD2 P14416 4/20 0.75
HRH1 P35367 5/20 0.69
HTR2A P28223 4/20 0.69
LMNA P02545 3/20 0.69
CHRM2 P08172 3/20 0.69
ADRA2A P08913 3/20 0.69
CHRM1 P11229 3/20 0.69
ADRA2B P18089 3/20 0.69
DRD1 P21728 3/20 0.69
HTR2C P28335 3/20 0.69
HTR3A P46098 3/20 0.69
HTR2B P41595 3/20 0.69
CHRM4 P08173 2/20 0.69
CHRM5 P08912 2/20 0.69
CHRM3 P20309 2/20 0.69
HTR6 P50406 2/20 0.69
HRH4 Q9H3N8 2/20 0.69
CYP2D6 P10635 2/20 0.69
CYP2C19 P33261 2/20 0.69

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
Hydrochloric Acid SCHEMBL9844418 0.99 DRD3 (0.74) DRD3DRD2HRH1HTR2ALMNA
SCHEMBL9844341 0.97 DRD3 (0.77) DRD3DRD2HRH1HTR2ALMNA
Hydrochloric Acid SCHEMBL9844566 0.96 DRD3 (0.75) DRD3DRD2HRH1HTR2ALMNA
SCHEMBL9844539 0.96 DRD3 (0.75) DRD3DRD2HRH1HTR2ALMNA
Hydrochloric Acid SCHEMBL9844567 0.95 DRD3 (0.74) DRD3DRD2HRH1HTR2ALMNA
SCHEMBL9844340 0.94 DRD3 (0.72) DRD3DRD2HRH1HTR2ALMNA
Hydrochloric Acid SCHEMBL9844514 0.93 DRD3 (0.71) DRD3DRD2HRH1HTR2ALMNA
SCHEMBL9844262 0.89 DRD3 (0.70) DRD3DRD2HRH1HTR2ALMNA
SCHEMBL9844280 0.87 DRD3 (0.68) DRD3DRD2HRH1HTR2ALMNA
Hydrochloric Acid SCHEMBL9791328 0.86 DRD3 (0.67) DRD3DRD2HRH1HTR2ALMNA

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-0451772-A1 Piperidine compounds, method for preparation thereof, and a pharamceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-10-16 EP disclosed