SCHEMBL8981027

SCHEMBL8981027

CCCCc1nc(CCCC)n(Cc2ccc(-n3c(F)cc(F)c3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.45
AGTR2 P50052 2/20 0.45
KCNH2 Q12809 1/20 0.31

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
SCHEMBL9668738 0.97 AGTR1 (0.43) AGTR1AGTR2KCNH2
SCHEMBL8981001 0.93 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9668306 0.92 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9667310 0.92 AGTR1 (0.36) AGTR1AGTR2KCNH2
SCHEMBL9668060 0.91 AGTR1 (0.36) AGTR1AGTR2KCNH2
SCHEMBL9668148 0.89 AGTR1 (0.35) AGTR1AGTR2KCNH2
SCHEMBL9667133 0.88 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9667319 0.88 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9668576 0.87 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9668172 0.87 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