SCHEMBL9680602

SCHEMBL9680602

CCOC(=O)C1=C(C)NC(CN(C)C)=C(C(=O)OCC)C1c1ccccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.48
ADRA1A P35348 3/20 0.48
SLC6A3 Q01959 3/20 0.48
ADORA3 P0DMS8 3/20 0.48
HTR1A P08908 2/20 0.48
ADRA2A P08913 2/20 0.48
CHRM1 P11229 2/20 0.48
DRD1 P21728 2/20 0.48
SLC6A2 P23975 2/20 0.48
OPRM1 P35372 2/20 0.48
DRD3 P35462 2/20 0.48
KCNH2 Q12809 2/20 0.48
CACNA1C Q13936 2/20 0.48
ABCB11 O95342 2/20 0.48
ABCB1 P08183 2/20 0.48
ADRB3 P13945 2/20 0.48
OPRK1 P41145 2/20 0.48
SCN5A Q14524 2/20 0.48
KCNK2 O95069 1/20 0.48
ADRB2 P07550 1/20 0.48

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
SCHEMBL2995373 0.87 ADORA3 (0.59) TBXA2RADRA1ASLC6A3ADORA3SLC6A2
SCHEMBL9682274 0.82 ADORA3 (0.49) TBXA2RADRA1ASLC6A3ADORA3HTR1A
SCHEMBL9682267 0.82 ADORA3 (0.49) TBXA2RADRA1ASLC6A3ADORA3HTR1A
SCHEMBL3034394 0.82 ADORA3 (0.68) TBXA2RADRA1ASLC6A3ADORA3HTR1A
SCHEMBL10742047 0.82 ADORA3 (0.64) TBXA2RADRA1ASLC6A3ADORA3HTR1A
SCHEMBL9682388 0.81 ADORA3 (0.48) TBXA2RADRA1ASLC6A3ADORA3HTR1A
SCHEMBL9682394 0.81 ADORA3 (0.48) TBXA2RADRA1ASLC6A3ADORA3HTR1A
Dimethylamine SCHEMBL10742056 0.80 TBXA2R (0.64) TBXA2RADRA1ASLC6A3ADORA3HTR1A
SCHEMBL9681543 0.79 ADORA3 (0.48) TBXA2RADRA1ASLC6A3ADORA3HTR1A
SCHEMBL9681777 0.79 CYP2C9 (0.46) TBXA2RADRA1ASLC6A3ADORA3HTR1A

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-5162345-A Dihydropyridinedicarboxylate Derivatives GLAXO, S.P.A. (IT) 1992-11-10 US disclosed