SCHEMBL9866178

SCHEMBL9866178

CC(=O)Nc1cc(O)c(C(=O)NC2CCN(CC3=CCC=CC3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.42
ADRB2 P07550 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
CHRNA4 P43681 1/20 0.42
HTR3A P46098 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SIGMAR1 Q99720 2/20 0.37

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
SCHEMBL9867871 0.89 DRD3 (0.45) MLNRADRB2CHRM1DRD2ADRA2B
SCHEMBL9869546 0.89 DRD3 (0.45) MLNRADRB2CHRM1DRD2ADRA2B
SCHEMBL9868373 0.86 DRD2 (0.49) MLNRADRB2CHRM1DRD2ADRA2B
SCHEMBL9866792 0.82 SIGMAR1 (0.57) DRD2DRD3SIGMAR1DRD4POLB
SCHEMBL9868188 0.78 DRD2 (0.51) MLNRADRB2CHRM1DRD2ADRA2B
SCHEMBL9865649 0.78 DRD2 (0.57) MLNRADRB2CHRM1DRD2ADRA2B
Hydrochloric Acid SCHEMBL9866290 0.77 DRD2 (0.56) MLNRADRB2CHRM1DRD2ADRA2B
SCHEMBL9867361 0.77 DRD2 (0.67) MLNRADRB2CHRM1DRD2ADRA2B
SCHEMBL11546244 0.75 DRD4 (0.58) DRD2ADRA2BADRA2CSLC6A2HTR2A
SCHEMBL11543632 0.75 DRD4 (0.49) DRD2ADRA2BADRA2CSLC6A2HTR2A

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-5026858-A Used for treating nausea, vomating, gastrointestinal disorders and centarl nervous system WALTON S.A. (ES) 1991-06-25 US disclosed