SCHEMBL9655796

SCHEMBL9655796

CCCc1nc2c(C(F)(F)F)nc(NC)nc2n1Cc1ccc(-c2ccncc2-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.40
AGTR2 P50052 6/20 0.40
PPARG P37231 1/20 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
SCHEMBL9657116 0.90 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9657692 0.81 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9600500 0.80 AGTR2 (0.61) AGTR1AGTR2
SCHEMBL9658398 0.78 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9657164 0.77 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9655838 0.77 PPARG (0.54) AGTR1AGTR2PPARG
SCHEMBL9657168 0.76 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9655672 0.75 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9658510 0.75 AGTR2 (0.43) AGTR1AGTR2
SCHEMBL9657186 0.74 PPARG (0.45) AGTR1AGTR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510813-A1 Angiotensin II antagonists incorporating a nitrogen containing six membered ring heterocycle MERCK & CO. INC. (US) 1992-10-28 EP claimed
EP-0510813-A1 Angiotensin II antagonists incorporating a nitrogen containing six membered ring heterocycle MERCK & CO. INC. (US) 1992-10-28 EP disclosed
US-5128327-A Hypotensive agents; congestive heart failure; antidepressants; anxiolytic agents; cognition activators MERCK & CO., INC. (US) 1992-07-07 US disclosed