SCHEMBL9183451

SCHEMBL9183451

CCCCC(=O)N(Cc1ccc(-c2ccsc2-c2nnn[nH]2)cc1)c1c(N)ccn(CC(=O)N(C)C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.36
AGTR2 P50052 5/20 0.36
LTB4R2 Q9NPC1 12/20 0.36

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
SCHEMBL9183459 0.89 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9183424 0.80 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9486277 0.80 LTB4R2 (0.44) AGTR1AGTR2LTB4R2
SCHEMBL9179727 0.72 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8092930 0.70 LTB4R2 (0.49) AGTR1LTB4R2
SCHEMBL9285111 0.67 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9263749 0.67 AGTR1 (0.41) AGTR1AGTR2LTB4R2
SCHEMBL8700930 0.66 LTB4R2 (0.37) AGTR1AGTR2LTB4R2
SCHEMBL9263754 0.66 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL18425480 0.66 LTB4R2 (0.69) AGTR1LTB4R2

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 disclosed
EP-0595151-A2 Imidazopyridine derivates as antagonists of angiotensin II MERCK PATENT GmbH (DE) 1994-05-04 EP disclosed