SCHEMBL6556549

SCHEMBL6556549

CCCC(=O)N(c1cccnc1)C(C)C(=O)c1c(CC)nc(CCC)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.72
AGTR2 P50052 6/20 0.72

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
SCHEMBL243027 0.91 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL244146 0.88 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL243869 0.87 AGTR1 (0.77) AGTR1AGTR2
SCHEMBL244031 0.87 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL242799 0.86 AGTR1 (0.75) AGTR1AGTR2
SCHEMBL242202 0.86 AGTR1 (0.80) AGTR1AGTR2
SCHEMBL7932871 0.84 AGTR1 (1.00) AGTR1AGTR2
SCHEMBL242909 0.83 AGTR1 (0.88) AGTR1AGTR2
SCHEMBL242503 0.83 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL240155 0.83 AGTR1 (0.70) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759754-A4 A METHOD OF MODIFYING ANGIOTENSIN RECEPTOR ACTIVITY FOR TREATMENT OF PREMENSTRUAL SYNDROME AND MEDIATION OF PAIN DEPADOVA ANTHONY S (US) 2000-07-05 EP claimed
US-5753651-A Use of AT1 antagonist such as irbesartan or candesartan cilexetil, among others; premenstrual syndrome (PMS) DEPADOVA ANTHONY S (US) 1998-05-19 US claimed
EP-0759754-A1 A METHOD OF MODIFYING ANGIOTENSIN RECEPTOR ACTIVITY FOR TREATMENT OF PREMENSTRUAL SYNDROME AND MEDIATION OF PAIN DePadova, Anthony S. (US) 1997-03-05 EP claimed
WO-1995029674-A1 A METHOD OF MODIFYING ANGIOTENSIN RECEPTOR ACTIVITY FOR TREATMENT OF PREMENSTRUAL SYNDROME AND MEDIATION OF PAIN DEPADOVA ANTHONY S (US) 1995-11-09 WO claimed
EP-1393722-A2 Use of angiotensin II subtype 1 (AT1) antagonists for the manufacture of a medicament in the treatment of premenstrual syndrome DePadova, Anthony S. (US) 2004-03-03 EP disclosed
US-6218414-B1 ADMINISTERING AN EFFECTIVE AMOUNT OF AN ANGIOTENSIN II ANTAGONIST AND A BENZOFURAN DERIVATIVE WITH ANTIARRHYTHMIC ACTIVITY FOR THERAPY OF CARDIOVASCULAR COMPLAINTS SANOFI (FR) 2001-04-17 US disclosed
EP-0759754-A4 A METHOD OF MODIFYING ANGIOTENSIN RECEPTOR ACTIVITY FOR TREATMENT OF PREMENSTRUAL SYNDROME AND MEDIATION OF PAIN DEPADOVA ANTHONY S (US) 2000-07-05 EP disclosed
US-5753651-A Use of AT1 antagonist such as irbesartan or candesartan cilexetil, among others; premenstrual syndrome (PMS) DEPADOVA ANTHONY S (US) 1998-05-19 US disclosed
EP-0759754-A1 A METHOD OF MODIFYING ANGIOTENSIN RECEPTOR ACTIVITY FOR TREATMENT OF PREMENSTRUAL SYNDROME AND MEDIATION OF PAIN DePadova, Anthony S. (US) 1997-03-05 EP disclosed
WO-1995029674-A1 A METHOD OF MODIFYING ANGIOTENSIN RECEPTOR ACTIVITY FOR TREATMENT OF PREMENSTRUAL SYNDROME AND MEDIATION OF PAIN DEPADOVA ANTHONY S (US) 1995-11-09 WO disclosed