SCHEMBL9402500

SCHEMBL9402500

CCCCc1nnc(SCc2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.57

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
SCHEMBL9402252 0.95 AGTR1 (0.53) AGTR1
SCHEMBL9402478 0.93 AGTR1 (0.53) AGTR1
SCHEMBL9402384 0.92
SCHEMBL9402211 0.92 AGTR1 (0.51) AGTR1
SCHEMBL9402249 0.90 AGTR1 (0.51) AGTR1
SCHEMBL9402378 0.90 AGTR1 (0.60) AGTR1
SCHEMBL9402216 0.90 AGTR1 (0.58) AGTR1
SCHEMBL9402301 0.89 AGTR1 (0.49) AGTR1
SCHEMBL9402182 0.89 AGTR1 (0.47) AGTR1
SCHEMBL9402357 0.89 AGTR1 (0.49) 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 3 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
EP-0409332-A2 Substituted triazoles as angiotensin II antagonists MERCK & CO. INC. (US) 1991-01-23 EP disclosed