SCHEMBL641

SCHEMBL641

CCCCc1nc(C(F)(F)F)c(CO)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.56
AGTR2 P50052 3/20 0.56
AGT P01019 2/20 0.52
ABCC4 O15439 1/20 0.49
ABCB11 O95342 1/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49

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
SCHEMBL8793503 0.93 AGTR1 (0.49) AGTR1AGTR2AGTABCC4ABCB11
SCHEMBL610 0.89 AGTR1 (0.62) AGTR1AGTR2AGTABCC4ABCB11
SCHEMBL6711100 0.84 AGTR1 (0.59) AGTR1AGTR2AGTABCC4ABCB11
SCHEMBL9030074 0.84 AGTR1 (0.65) AGTR1AGTR2AGT
SCHEMBL13037616 0.84 AGTR1 (0.62) AGTR1AGTR2AGTABCC4ABCB11
SCHEMBL8252592 0.83 AGTR1 (0.55) AGTR1AGTR2AGTABCC4ABCB11
SCHEMBL2924610 0.83 AGTR2 (0.55) AGTR1AGTR2AGTABCC4ABCB11
SCHEMBL7308711 0.82 AGTR1 (0.59) AGTR1AGTR2AGT
SCHEMBL8392437 0.82 AGTR1 (0.60) AGTR1AGTR2AGT
SCHEMBL7312342 0.82 AGTR1 (0.58) AGTR1AGTR2AGT

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 9 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
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