SCHEMBL9402502

SCHEMBL9402502

CCCCc1nnc(SCc2ccccc2C(=O)O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.79
AGTR2 P50052 1/20 0.59

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
SCHEMBL9402333 0.95 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL9402184 0.94 AGTR1 (0.70) AGTR1
SCHEMBL9402481 0.93 AGTR1 (0.70) AGTR1
SCHEMBL9402189 0.93 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL9402269 0.91 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9402349 0.90 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL9402258 0.90 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL9402253 0.90 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL9402240 0.89 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9402479 0.89 AGTR1 (0.75) AGTR1

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-5336778-A Substituted triazoles as angiotensin II antagonists MERCK & CO., INC. (US) 1994-08-09 US claimed
US-5336778-A Substituted triazoles as angiotensin II antagonists MERCK & CO., INC. (US) 1994-08-09 US disclosed