SCHEMBL10656768

SCHEMBL10656768

COc1ccccc1N1CCN(CCOc2cccc3cccnc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.62
HTR6 P50406 1/20 0.62
DRD2 P14416 6/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
HTR1A P08908 3/20 0.57
HTR2A P28223 6/20 0.57
ABCB1 P08183 1/20 0.56
ADRA1A P35348 2/20 0.55
DRD3 P35462 1/20 0.55
HTR2C P28335 1/20 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
SCHEMBL8723284 0.84 DRD2 (0.72) HTR7DRD2HTR1AHTR2AABCB1
SCHEMBL10660481 0.81 MAPT (0.76) DRD2SLC6A2SLC6A4HTR1AHTR2A
SCHEMBL10654773 0.81 RAB9A (0.56) HTR7DRD2HTR1ADRD3HTR2C
SCHEMBL1101107 0.80 RAB9A (0.55) HTR7HTR6DRD2HTR1AHTR2A
SCHEMBL11827962 0.79 DRD3 (0.70) HTR7DRD2SLC6A2SLC6A4HTR1A
SCHEMBL9826331 0.79 DRD3 (0.70) HTR7DRD2HTR1AHTR2ADRD3
SCHEMBL1100987 0.78 PIK3CD (0.53) HTR7DRD2HTR1ADRD3HTR2C
SCHEMBL9826692 0.77 DRD2 (0.55) HTR7HTR6DRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL1101288 0.77 PIK3CD (0.52) HTR7DRD2HTR1ADRD3HTR2C
SCHEMBL8720336 0.76 ALDH1A1 (0.72) HTR7DRD2SLC6A2SLC6A4HTR1A

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-4735943-A VASODILATORS SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1988-04-05 US claimed
US-4735943-A VASODILATORS SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1988-04-05 US disclosed