SCHEMBL9700670

SCHEMBL9700670

CCCc1nc(C(C)(C)C)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.46
AGTR2 P50052 7/20 0.46

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
SCHEMBL9527543 0.94 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9529096 0.93 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8095770 0.92 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9527631 0.92 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9528567 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8103846 0.90 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8104949 0.89 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8842003 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8841477 0.89 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL6006225 0.89 AGTR1 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed