Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4022994

N.O=C(O)C[C@H](NC(=O)Cc1ccccc1)c1cccnc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.56
ITGAV P06756 5/20 0.56
ITGA2B P08514 2/20 0.54
EPHX2 P34913 1/20 0.52
CNR2 P34972 1/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SUCNR1 Q9BXA5 2/20 0.50
ECE1 P42892 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
Ammonia Solution, Strong SCHEMBL27572931 1.00 ITGB3 (0.56) ITGB3ITGAVITGA2BEPHX2CNR2
SCHEMBL6638460 0.99 ITGB3 (0.57) ITGB3ITGAVITGA2BEPHX2CNR2
SCHEMBL14037327 0.99 ITGB3 (0.57) ITGB3ITGAVITGA2BEPHX2CNR2
SCHEMBL27558113 0.85 CNR2 (0.65) CNR2LMNAHPGDHTTSMN1; SMN2
SCHEMBL6956276 0.85 CNR2 (0.65) CNR2LMNAHPGDHTTSMN1; SMN2
SCHEMBL28760324 0.85 CNR2 (0.65) CNR2LMNAHPGDHTTSMN1; SMN2
SCHEMBL14398961 0.80 ITGB3 (0.63) ITGB3ITGAVITGA2BSUCNR1
SCHEMBL1243478 0.79 EPHX2 (0.54) ITGB3ITGAVEPHX2CNR2LMNA
SCHEMBL6954926 0.76 ITGB3 (0.52) ITGB3ITGAVITGA2BLMNAHPGD
SCHEMBL8874820 0.76 SUCNR1 (0.51) ITGB3ITGAVITGA2BEPHX2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1184374-B1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders ORTHO MCNEIL PHARM INC (US) 2009-01-28 EP disclosed
EP-1988078-A1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders Ortho-McNeil Pharmaceutical, Inc. (US) 2008-11-05 EP disclosed
EP-0923555-B1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO MCNEIL PHARM INC (US) 2005-06-15 EP disclosed
EP-1102766-B1 TRIAZOLOPYRIDINES FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO MCNEIL PHARM INC (US) 2004-03-31 EP disclosed
CN-1320125-A Trizolopyridines for the treamtent of thrombosis disorders ORTHO MCNEIL PHARM INC (US) 2001-10-31 CN disclosed
US-6303625-B1 FIBRINOGEN RECEPTOR ANTAGONISTS WHICH INHIBIT PLATELET AGGREGATION AND ARE USEFUL IN TREATING THROMBOTIC DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-10-16 US disclosed
EP-1102766-A1 TRIAZOLOPYRIDINES FOR THE TREATMENT OF THROMBOSIS DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2001-05-30 EP disclosed
US-6191145-B1 ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-02-20 US disclosed
US-6069254-A Carboxamide derivatives of piperidine for the treatment of thrombosis disorders ORTHO PHARMACEUTICAL CORP. (US) 2000-05-30 US disclosed
US-6066651-A ANTITHROMBOTIC AGENTS BY VIRTUE OF THEIR ABILITY TO PREVENT PLATELET AGGREGATION ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-05-23 US disclosed
WO-2000006570-A1 TRIAZOLOPYRIDINES FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-02-10 WO disclosed
EP-0923555-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1999-06-23 EP disclosed
WO-1997041102-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-06 WO disclosed