SCHEMBL7380686

SCHEMBL7380686

CCCCNCCCc1c(C(=O)OCC)[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.68
HTR1A P08908 1/20 0.65
DRD2 P14416 1/20 0.65
DRD4 P21917 1/20 0.65
HTR1D P28221 1/20 0.65
HTR1B P28222 1/20 0.65
HTR1F P30939 1/20 0.65
HTR7 P34969 1/20 0.65
DRD3 P35462 1/20 0.65
KDM4E B2RXH2 11/20 0.62
TSHR P16473 4/20 0.62
HSD17B10 Q99714 3/20 0.62
GAA P10253 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
HTT P42858 1/20 0.62
RAB9A P51151 1/20 0.62
ALDH1A1 P00352 6/20 0.61
MAPT P10636 3/20 0.61
HPGD P15428 3/20 0.56
LMNA P02545 3/20 0.55

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
SCHEMBL3033159 0.86 HTR6 (0.80) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2204865 0.84 HTR6 (0.76) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL5268569 0.82 HTR6 (0.70) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL8412387 0.81 HTR6 (0.65) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL9094606 0.81 HTR6 (0.73) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL1486947 0.81 HTR6 (1.00) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL3029129 0.81 HTR6 (0.75) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2204353 0.80 HTR6 (0.74) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL7381366 0.80 HTR6 (0.74) HTR6HTR1ADRD2DRD4HTR1D
Hydrochloric Acid SCHEMBL1486945 0.80 HTR6 (0.97) HTR6HTR1ADRD2DRD4HTR1D

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-4994477-A Hypotensive agents ABBOTT LABORATORIES (US) 1991-02-19 US disclosed