SCHEMBL7387012

SCHEMBL7387012

CCCc1nc2c(C)nc(N(C)C)nc2n1Cc1ccc(-c2csc(Br)c2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 7/20 0.40
AGTR1 P30556 6/20 0.40
PPARG P37231 1/20 0.33

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
SCHEMBL7380211 0.90 AGTR2 (0.41) AGTR2AGTR1PPARG
SCHEMBL7381561 0.86 AGTR2 (0.42) AGTR2AGTR1
SCHEMBL7387716 0.85 AGTR2 (0.45) AGTR2AGTR1
SCHEMBL9662128 0.85 AGTR1 (0.51) AGTR2AGTR1
SCHEMBL7387246 0.83 AGTR2 (0.56) AGTR2AGTR1
SCHEMBL7384595 0.82 AGTR1 (0.41) AGTR2AGTR1
SCHEMBL7386246 0.81 AGTR1 (0.45) AGTR2AGTR1PPARG
SCHEMBL7387098 0.80 AGTR1 (0.43) AGTR2AGTR1
SCHEMBL7382796 0.79 AGTR2 (0.56) AGTR2AGTR1
SCHEMBL7389075 0.78 PPARG (0.52) AGTR2AGTR1PPARG

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-5177074-A Heterocyclic nitrogen compounds used to treat hypertension, cognitive dysfunction, anxiety or depression MERCK & CO., INC. (US) 1993-01-05 US disclosed
EP-0513979-A1 Angiotensin II antagonists incorporating a substituted thiophene or furan MERCK & CO. INC. (US) 1992-11-19 EP disclosed