SCHEMBL8980850

SCHEMBL8980850

CCCCc1nc(C(C)C)nn1Cc1ccc(-n2ccc(C(F)(F)F)c2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 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
SCHEMBL8981165 0.94 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL8981208 0.93 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8980890 0.89 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8980745 0.89 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8981234 0.89 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981300 0.89 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL8980827 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8980701 0.88 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8981028 0.88 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981139 0.88 AGTR1 (0.35) 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