SCHEMBL9178184

SCHEMBL9178184

CCCCc1nc2ccn(Cc3ccccc3C(=O)OC)c(=O)c2n1Cc1ccc(-c2ccsc2-c2nnn[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 19/20 0.61
AGTR2 P50052 19/20 0.61

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
SCHEMBL9265644 0.91 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL7942058 0.85 AGTR1 (0.78) AGTR1AGTR2
SCHEMBL9409773 0.84 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL614372 0.83 AGTR1 (0.77) AGTR1AGTR2
SCHEMBL8088517 0.82 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL8081205 0.80 AGTR2 (0.64) AGTR1AGTR2
SCHEMBL6555241 0.80 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL8081267 0.79 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL8080801 0.79 AGTR1 (0.76) AGTR1AGTR2
SCHEMBL9196961 0.78

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405964-A Angiotensin antagonist MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-04-11 US claimed
EP-0595151-A2 Imidazopyridine derivates as antagonists of angiotensin II MERCK PATENT GmbH (DE) 1994-05-04 EP claimed