SCHEMBL8981114

SCHEMBL8981114

CCCCc1nc(CCc2ccccc2)nn1Cc1ccc(-n2c(C)cc(C)c2-c2nnn[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.45
AGTR2 P50052 3/20 0.45
POLB P06746 1/20 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
SCHEMBL8980824 0.93 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8980963 0.92 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8981184 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8980980 0.88 AGTR1 (0.44) AGTR1AGTR2POLB
SCHEMBL8980886 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8980861 0.87 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8981263 0.87 AGTR1 (0.44) AGTR1AGTR2POLB
SCHEMBL8981130 0.87 AGTR1 (0.45) AGTR1AGTR2POLB
SCHEMBL8980663 0.86 AGTR1 (0.46) AGTR1AGTR2POLB
SCHEMBL8980851 0.86 AGTR1 (0.49) 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