SCHEMBL7339505

SCHEMBL7339505

CCc1cc(NC(=O)c2cccnc2)ccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.64
▸ NPC1 O15118 6/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ KCNK3 O14649 1/20 0.60
▸ MAPT P10636 3/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ GFER P55789 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.56
▸ TP53 P04637 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ROCK2 O75116 1/20 0.55
▸ ROCK1 Q13464 1/20 0.55

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
SCHEMBL3073675 0.87 MAPT (0.56) RAB9ANPC1SMN1; SMN2KCNK3MAPT
SCHEMBL7321703 0.84 GAA (0.57) RAB9ASMN1; SMN2KCNK3ALDH1A1KMT2A
SCHEMBL10940026 0.80 KCNK3 (0.81) RAB9ANPC1SMN1; SMN2KCNK3ALDH1A1
SCHEMBL2498414 0.80 RAB9A (0.76) RAB9ANPC1SMN1; SMN2KCNK3ALDH1A1
SCHEMBL8252721 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTNPSR1
Hydrochloric Acid SCHEMBL2105310 0.79 KCNK3 (0.78) RAB9ANPC1SMN1; SMN2KCNK3ALDH1A1
SCHEMBL7544775 0.78 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KCNK3MAPT
SCHEMBL24933360 0.78 RAB9A (0.73) RAB9ANPC1SMN1; SMN2KCNK3MAPT
SCHEMBL10076300 0.78 RAB9A (0.77) RAB9ANPC1SMN1; SMN2KCNK3MAPT
SCHEMBL5239511 0.77 GRM4 (0.57) RAB9ANPC1SMN1; SMN2KCNK3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869483-A KIDNEY DISEASES AMERICAN CYANAMID COMPANY (US) 1999-02-09 — — US disclosed
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 — — EP disclosed
US-5854236-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-29 — — US disclosed
US-5843952-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-01 — — US disclosed
US-5834461-A TREATING CONGESTIVE HEART FAILURE AMERICAN CYANAMID COMPANY (US) 1998-11-10 — — US disclosed
US-5786353-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-07-28 — — US disclosed
US-5760031-A KIDNEY DISEASES AMERICAN CYANAMID COMPANY (US) 1998-06-02 — — US disclosed
US-5747487-A N-(4-((4,5-DIHYDRO-6H-THIAZOL(5,4-D)(1)BENZAZEPIN-6-YL) -CARBONYL)PHENYL)BENZAMIDES; DISEASES CHARATERIZED BY EXCESS RENAL ABSORPTION OF WATER, E.G. CONGESTIVE HEART DISEASE, HYERTENSION; OXYTOCIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1998-05-05 — — US disclosed
US-5739128-A ADMINISTERING FOR TREATMENT OF DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-04-14 — — US disclosed
US-5736538-A TREATS IN MAMMAL THE DISEASE CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER, IS CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, HYPONATREMIA, CORONARY AND RENAL VASOSPASM, CARDIAC ISCHEMIA, LIVER CIRRHOSIS AND BRAIN EDEMA AMERICAN CYANAMID COMPANY (US) 1998-04-07 — — US disclosed
WO-1997047625-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 — — WO disclosed
WO-1997047624-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 — — WO disclosed
US-5693635-A TREATMENT OF DISEASES CHARACTERIZED BY EXCESS RENAL ABSORPTION OF WATER; CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME AMERICAN CYANAMID COMPANY (US) 1997-12-02 — — US disclosed
US-5686445-A Pyridobenzoxazepine and pyridobenzothiazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1997-11-11 — — US disclosed
US-5512563-A TREATING DISEASES CAUSED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-04-30 — — US disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 — — EP disclosed
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