SCHEMBL9331606

SCHEMBL9331606

CCOC(=O)CCCCc1ccc(CCN)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 3/20 0.59
CYP1A2 P05177 2/20 0.58
CYP4F2 P78329 2/20 0.57
CYP4A11 Q02928 2/20 0.57
CYP4F11 Q9HBI6 1/20 0.53
CYP4F12 Q9HCS2 1/20 0.53
HTR2A P28223 1/20 0.51
ALOX5 P09917 1/20 0.51
MAPK1 P28482 2/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TAAR1 Q96RJ0 2/20 0.44
CYP2A6 P11509 1/20 0.44
FAAH O00519 1/20 0.44
TBXAS1 P24557 1/20 0.43
MGLL Q99685 1/20 0.43

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
Hydrochloric Acid SCHEMBL9265306 0.98 CYP4Z1 (0.58) CYP4Z1CYP1A2CYP4F2CYP4A11CYP4F11
Hydrochloric Acid SCHEMBL11473826 0.97 CYP4Z1 (0.56) CYP4Z1CYP1A2CYP4F2CYP4A11CYP4F11
Hydrochloric Acid SCHEMBL11481637 0.97 CYP4Z1 (0.56) CYP4Z1CYP1A2CYP4F2CYP4A11CYP4F11
Hydrochloric Acid SCHEMBL11472241 0.97 CYP4Z1 (0.56) CYP4Z1CYP1A2CYP4F2CYP4A11CYP4F11
SCHEMBL10463522 0.95 CYP1A2 (0.59) CYP4Z1CYP1A2CYP4F2CYP4A11CYP4F11
Hydrochloric Acid SCHEMBL11489404 0.94 CYP1A2 (0.58) CYP4Z1CYP1A2CYP4F2CYP4A11CYP4F11
SCHEMBL9744594 0.90 CYP4Z1 (0.59) CYP4Z1CYP1A2CYP4F2CYP4A11CYP4F11
SCHEMBL9671800 0.90 CYP4Z1 (0.65) CYP4Z1CYP1A2CYP4F2CYP4A11CYP4F11
Hydrochloric Acid SCHEMBL27344081 0.89 CYP4Z1 (0.58) CYP4Z1CYP1A2CYP4F2CYP4A11CYP4F11
SCHEMBL16264858 0.89 CYP4Z1 (0.58) CYP4Z1CYP1A2CYP4F2CYP4A11CYP4F11

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 6 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
US-4948809-A TREATMENT OF AILMENTS DUE TO THROMBOCYTE AGGREGATION OR KIDNEY DYSFUNCTION BOEHRINGER MANNHEIM GMBH (DE) 1990-08-14 US 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