SCHEMBL9328648

SCHEMBL9328648

Oc1cccc(CCNCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
DRD2 P14416 2/20 0.60
DRD4 P21917 1/20 0.60
ADRA1D P25100 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
DRD3 P35462 1/20 0.60
MPO P05164 2/20 0.57
SLC2A4 P14672 1/20 0.56
SLC6A5 Q9Y345 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
BCHE P06276 6/20 0.55
OPRK1 P41145 1/20 0.54
DRD1 P21728 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL18114812 0.89 OPRK1 (0.62) DRD2ADRA1ADRD3SLC6A5OPRK1
SCHEMBL11877395 0.87 GAA (0.76) GAAMAPTMPOMEN1KMT2A
SCHEMBL6539985 0.86 GAA (0.51) GAAMAPTDRD2DRD4ADRA1D
SCHEMBL6539919 0.84 HTR6 (0.51) GAAMAPTDRD2DRD4ADRA1D
SCHEMBL2538044 0.83 CYP1A2 (0.62) SLC2A4SLC6A5TAAR1
SCHEMBL5177175 0.83 CA1 (0.52) GAADRD2DRD4ADRA1DADRA1A
SCHEMBL6254596 0.83 SLC2A4 (0.65) MAPTDRD2DRD4ADRA1DADRA1A
Bromide SCHEMBL11280236 0.82 BCHE (0.59) GAAMAPTDRD2DRD4ADRA1D
SCHEMBL580289 0.81 BCHE (0.77) GAAMAPTDRD4MPOMEN1
SCHEMBL3695539 0.81 BCHE (0.77) GAAMAPTDRD4MPOMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356989-B1 Sulfon amides with a tetrazolyl rest, process for their preparation an therapeutic agents BOEHRINGER MANNHEIM GMBH (DE) 1994-04-06 EP disclosed
US-5173500-A Inhibiting thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1992-12-22 US disclosed
US-5037990-A Antagonist, antagonism, bronchodilator; antiischemic agents, treatment of cardiovascular disorder, kidney dialysis; and antiulcer agent BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed
CN-1045780-A The preparation of new sulfonamide derivatives BOEHRINGER MANNHEIM GMBH (DE) 1990-10-03 CN disclosed
EP-0356989-A2 Sulfon amides with a tetrazolyl rest, process for their preparation an therapeutic agents Roche Diagnostics GmbH (DE) 1990-03-07 EP disclosed