SCHEMBL9528540

SCHEMBL9528540

CCC#Cc1nc(CCC)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.44
AGTR2 P50052 8/20 0.44
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL9528328 0.95 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9529063 0.94 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9532420 0.93 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9527276 0.93 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9700836 0.93 AGTR1 (0.40) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9529437 0.92 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9527294 0.91 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9527368 0.90 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9528753 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9527268 0.88 AGTR1 (0.37) 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