SCHEMBL7340569

SCHEMBL7340569

Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)O)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYGL P06737 5/20 0.61
AVPR2 P30518 3/20 0.57
AVPR1A P37288 3/20 0.57
OXTR P30559 2/20 0.57
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
ALOX15 P16050 2/20 0.47
POLB P06746 1/20 0.46
CLCN2 P51788 1/20 0.45
RAB9A P51151 1/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNK2 O95069 1/20 0.44

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
SCHEMBL8314686 0.87 RAB9A (0.57) PYGLKDM4EALDH1A1PDK1PDK2
SCHEMBL31585840 0.87 PTGFR (0.53) PYGLAVPR2AVPR1AOXTRPOLB
SCHEMBL20601613 0.87 PTGFR (0.53) PYGLAVPR2AVPR1AOXTRPOLB
SCHEMBL16148162 0.86 PYGL (0.62) PYGLALDH1A1PDK1PDK2PDK3
SCHEMBL22871358 0.85 TAS1R3 (0.53) PYGLAVPR2AVPR1AOXTRPOLB
SCHEMBL8317691 0.84 AVPR2 (0.50) PYGLAVPR2AVPR1AOXTRKDM4E
SCHEMBL7332090 0.83 PYGL (0.62) PYGLKDM4EALDH1A1RAB9ANPC1
SCHEMBL22871318 0.82 PYGL (0.61) PYGLAVPR2AVPR1AOXTRKDM4E
SCHEMBL20602338 0.82 PYGL (0.65) PYGLAVPR2AVPR1AOXTRRAB9A
SCHEMBL8314728 0.80 PYGL (0.62) PYGLKDM4EPDK1PDK2PDK3

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
US-5968930-A FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
US-5968937-A FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
US-5889001-A TREATING CONDITIONS WHERE DECREASED VASOPRESSIN LEVELS ARE DESIRED AND DISEASES WITH EXCESS RENAL WATER REABSORPTION AMERICAN CYANAMID COMPANY (US) 1999-03-30 US disclosed
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed
US-5854237-A Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-29 US disclosed
US-5843944-A Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-01 US disclosed
US-5736540-A CONGESTIVE HEART FAILURE AMERICAN CYANAMID COMPANY (US) 1998-04-07 US disclosed
US-5733905-A CONGESTIVE HEART FAILURE; KIDNEY DISORDERS AMERICAN CYANAMID COMPANY (US) 1998-03-31 US disclosed
US-5624923-A UROGENITAL AND CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-04-29 US disclosed
US-5516774-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed