SCHEMBL9633099

SCHEMBL9633099

c1cnc(N2CCN(CCCCc3ccncc3)CC2)nc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.75
DRD2 P14416 7/20 0.75
DRD3 P35462 7/20 0.75
HTR2A P28223 5/20 0.75
DRD1 P21728 3/20 0.75
DRD5 P21918 2/20 0.75
SIGMAR1 Q99720 4/20 0.59
DRD4 P21917 5/20 0.55
HTR7 P34969 4/20 0.55
ADRA2C P18825 2/20 0.55
HRH1 P35367 2/20 0.55
POLB P06746 1/20 0.55
SLC6A4 P31645 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
ADRA2A P08913 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL9631368 0.85 POLB (0.78) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL26108581 0.82 HTR1A (0.65) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL26492991 0.82 HTR1A (0.65) HTR1ADRD2DRD3HTR2ADRD1
Hydrochloric Acid SCHEMBL26108377 0.81 DRD2 (0.63) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL9260064 0.78 HTR1A (0.60) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL7787481 0.78 HTR2A (0.72) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL388434 0.77 DRD2 (0.47) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL9631663 0.77 HTR1A (0.61) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL5430295 0.77 ADRA1A (0.72) HTR1ADRD2DRD3HTR2ADRD1
Hydrochloric Acid SCHEMBL10423847 0.77 HTR1A (0.64) HTR1ADRD2DRD3HTR2ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089497-A Dopaminergic agents WARNER-LAMBERT COMPANY (US) 1992-02-18 US claimed
US-5089497-A Dopaminergic agents WARNER-LAMBERT COMPANY (US) 1992-02-18 US disclosed