SCHEMBL9220645

SCHEMBL9220645

CCCc1cn(-c2ncnn2C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)nc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.51
AGTR2 P50052 12/20 0.51

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
SCHEMBL9222484 0.92 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9218939 0.91 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9214992 0.91 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9225684 0.91 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9217827 0.90 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9217373 0.90 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9217033 0.89 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9222434 0.89 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9221836 0.88 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9221958 0.88 AGTR1 (0.56) 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-5451592-A Angiotensin antagonist C.D. SEARLE & CO. (US) 1995-09-19 US disclosed