SCHEMBL8980896

SCHEMBL8980896

CCCCc1nc(C(C)C)nn1Cc1ccc(-n2c(Cl)cc(Cl)c2-c2nnn[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.35
AGTR2 P50052 3/20 0.35
UCHL3 P15374 2/20 0.33

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
SCHEMBL8981057 0.93 AGTR1 (0.34) AGTR1AGTR2UCHL3
SCHEMBL8980600 0.89 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8980697 0.89 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8980994 0.88 AGTR1 (0.39) AGTR1AGTR2UCHL3
SCHEMBL8981275 0.88 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL8981081 0.86 AGTR1 (0.37) AGTR1AGTR2UCHL3
SCHEMBL8981401 0.86 AGTR1 (0.36) AGTR1AGTR2UCHL3
SCHEMBL8981255 0.85 AGTR1 (0.35) AGTR1AGTR2UCHL3
SCHEMBL8981035 0.85 AGTR1 (0.35) AGTR1AGTR2UCHL3
SCHEMBL9668148 0.85 AGTR1 (0.35) AGTR1AGTR2UCHL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484937-A ANGIOTENSIN ANTAGONISTS G.D. SEARLE & CO. (US) 1996-01-16 US disclosed
US-5175180-A Antagonist, antagonism G. D. SEARLE & CO. (US) 1992-12-29 US disclosed
WO-1992011255-A1 N-SUBSTITUTED N-(α-TRIAZOLYL-TOLUYL)PYRROLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-07-09 WO disclosed