SCHEMBL598

SCHEMBL598

CCCSc1ncc(CO)n1Cc1ccc(OCc2ccccc2C#N)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.48
HTT P42858 1/20 0.47
FFAR1 O14842 1/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 3/20 0.43
MAOB P27338 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL670 0.84 POLB (0.60) POLBHTTMAPK1TP53THRB
SCHEMBL701 0.83 POLB (0.49) POLBHTTMAPK1TP53
SCHEMBL584 0.77 POLB (0.56) POLBHTTMAPK1TP53THRB
SCHEMBL7060199 0.74 TP53 (0.57) POLBHTTMAPK1TP53THRB
SCHEMBL585 0.72 AGTR1 (0.57)
SCHEMBL260 0.70 AGTR1 (0.62) POLBHTT
SCHEMBL9341437 0.69 FFAR1 (0.49) FFAR1TP53MAOB
SCHEMBL658 0.67 NMT1 (0.53)
SCHEMBL8954122 0.66 TP53 (0.48) POLBHTTMAPK1TP53
SCHEMBL568 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733366-B1 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics DU PONT (US) 1998-04-01 EP disclosed
EP-0324377-B1 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids DU PONT (US) 1997-04-16 EP disclosed
EP-0733366-A2 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-25 EP disclosed
EP-0253310-B1 Angiotensin II receptor blocking imidazoles DU PONT (US) 1994-10-26 EP disclosed
US-5155118-A Administering angiotensin inhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-13 US disclosed
US-5153197-A Treatment of hypertension with angiotensin II blocking imidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-06 US disclosed
US-5138069-A Treating hypertension and congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US disclosed
US-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO disclosed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP disclosed