SCHEMBL8980889

SCHEMBL8980889

CCCCc1nc(C(C)CC)n(Cc2ccc(-n3ccc(C(C)C)c3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.34
AGTR2 P50052 2/20 0.34

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
SCHEMBL8981426 0.91 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981400 0.91 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8980895 0.90 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8980580 0.90 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8980990 0.89 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8981339 0.89 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981291 0.89 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL8980785 0.89 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL8981237 0.88 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL8981140 0.88 AGTR1 (0.33) AGTR1AGTR2

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