SCHEMBL8980947

SCHEMBL8980947

CCCCc1nc(C(CCC)(OC)OC)nn1Cc1ccc(-n2c(-c3ccccc3)ccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.39
AGTR2 P50052 4/20 0.39

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
SCHEMBL8980695 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8981487 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8981056 0.90 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981553 0.89 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8981489 0.89 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8981524 0.89 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8981206 0.89 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8981519 0.88 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8980711 0.88 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8981168 0.88 AGTR1 (0.34) 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