SCHEMBL9529366

SCHEMBL9529366

CCC(C)c1nc(CC2CCCCC2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.38
AGTR2 P50052 4/20 0.38
BRS3 P32247 3/20 0.34
CDC7 O00311 1/20 0.33
MME P08473 1/20 0.32

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
SCHEMBL9528746 0.92 AGTR1 (0.41) AGTR1AGTR2BRS3
SCHEMBL9528973 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9527193 0.86 AGTR1 (0.35) AGTR1AGTR2CDC7
SCHEMBL9528991 0.86 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9527570 0.86 AGTR1 (0.42) AGTR1AGTR2BRS3
SCHEMBL8105356 0.85 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL6008228 0.85 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8110826 0.85 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9529684 0.85 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9527166 0.85 AGTR1 (0.39) AGTR1AGTR2

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-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed