SCHEMBL10908415

SCHEMBL10908415

Oc1ccc(CCNCCc2ccccc2)cc1O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.87
DRD1 P21728 3/20 0.87
DRD3 P35462 3/20 0.87
ADORA3 P0DMS8 1/20 0.87
CHRM1 P11229 1/20 0.87
ADRA2B P18089 1/20 0.87
ADRA2C P18825 1/20 0.87
SLC6A2 P23975 1/20 0.87
SLC6A4 P31645 1/20 0.87
ADRA1A P35348 1/20 0.87
PTGS2 P35354 1/20 0.87
HRH1 P35367 1/20 0.87
OPRK1 P41145 1/20 0.87
SLC6A3 Q01959 1/20 0.87
PDE4D Q08499 1/20 0.87
KCNH2 Q12809 1/20 0.87
HRH3 Q9Y5N1 1/20 0.87
ALOX15 P16050 2/20 0.70
IGF1R P08069 1/20 0.70
DRD2 P14416 2/20 0.63

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
SCHEMBL7272207 0.95 ADRB2 (0.97) ADRB2DRD1DRD3ADORA3CHRM1
SCHEMBL7272201 0.93 ADRB2 (1.00) ADRB2DRD1DRD3ADORA3CHRM1
Bromide SCHEMBL7272394 0.93 ADRB2 (0.94) ADRB2DRD1DRD3ADORA3CHRM1
SCHEMBL7278498 0.93 ADRB2 (1.00) ADRB2DRD1DRD3ADORA3CHRM1
Dopexamine SCHEMBL5605569 0.93 ADRB2 (1.00) ADRB2DRD1DRD3ADORA3CHRM1
Dopexamine SCHEMBL29711811 0.93 ADRB2 (1.00) ADRB2DRD1DRD3ADORA3CHRM1
SCHEMBL7280896 0.93 ADRB2 (0.77) ADRB2DRD1DRD3ADORA3CHRM1
Dopexamine SCHEMBL122233 0.93 ADRB2 (1.00) ADRB2DRD1DRD3ADORA3CHRM1
Bromide SCHEMBL10535905 0.92 ADRB2 (0.75) ADRB2DRD1DRD3ADORA3CHRM1
Bromide SCHEMBL7280381 0.92 ADRB2 (0.97) ADRB2DRD1DRD3ADORA3CHRM1

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-4581225-A CARDIOTONIC AGENTS; A CATECHOLAMINE, DOBUTAMINE ELI LILLY AND COMPANY (US) 1986-04-08 US disclosed