SCHEMBL9223121

SCHEMBL9223121

CCCc1cn(-c2nnnn2CCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)nc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.50
AGTR2 P50052 13/20 0.50

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
SCHEMBL9223991 0.95 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9215121 0.95 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9223395 0.94 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9217076 0.92 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9217373 0.92 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9278497 0.92 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9222484 0.90 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9214799 0.90 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9224788 0.88 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9223769 0.88 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 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