SCHEMBL9759563

SCHEMBL9759563

COc1ccnc(NCCCCN2CCN(c3ccccc3OC)CC2)n1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.71
DRD2 P14416 9/20 0.71
HTR7 P34969 5/20 0.71
HTR2A P28223 4/20 0.71
HTR6 P50406 4/20 0.71
DRD3 P35462 5/20 0.68
ADRA1A P35348 3/20 0.68
HRH4 Q9H3N8 1/20 0.68

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
SCHEMBL9759666 0.93 HTR1A (0.60) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL9759774 0.83 HTR1A (0.54) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL9760272 0.81 DRD2 (0.67) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL9760100 0.81 HTR1A (0.64) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL9759409 0.81 HTR1A (0.59) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL9760177 0.79 HTR1A (0.73) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL8961083 0.78 ADRA1A (0.69) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL8484819 0.78 DRD2 (0.94) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL8017069 0.78 DRD2 (0.94) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL8874454 0.78 HTR1A (0.73) HTR1ADRD2HTR7HTR2AHTR6

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-5075308-A Method for treating urinary obstruction HITACHI CHEMICAL CO., LTD. (JP) 1991-12-24 US disclosed