SCHEMBL9400072

SCHEMBL9400072

CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 19/20 1.00
AGTR1 P30556 18/20 1.00

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
SCHEMBL9400091 0.96 AGTR2 (0.93) AGTR2AGTR1
SCHEMBL9399146 0.96 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL9399238 0.94 AGTR2 (0.89) AGTR2AGTR1
SCHEMBL9399240 0.94 AGTR2 (0.89) AGTR2AGTR1
SCHEMBL9399562 0.94 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL9399420 0.94 AGTR2 (0.91) AGTR2AGTR1
SCHEMBL9399321 0.94 AGTR2 (0.88) AGTR2AGTR1
SCHEMBL9399815 0.93 AGTR2 (0.90) AGTR2AGTR1
SCHEMBL9399913 0.93 AGTR2 (0.90) AGTR2AGTR1
SCHEMBL9399330 0.93 AGTR2 (0.88) AGTR2AGTR1

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-5281614-A Hypotensive agents, glaucoma or angiotensin antagonists MERCK & CO., INC. (US) 1994-01-25 US claimed
US-5281614-A Hypotensive agents, glaucoma or angiotensin antagonists MERCK & CO., INC. (US) 1994-01-25 US disclosed