SCHEMBL8096129

SCHEMBL8096129

CCCCc1nc(Cl)n(Cc2ccc(Cc3cccc(C(=O)O)c3)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.45
AGTR2 P50052 5/20 0.45
CTRC Q99895 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8104901 0.90 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8105272 0.89 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8111072 0.88 PPARG (0.52) AGTR1AGTR2CTRC
SCHEMBL8103172 0.87 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8111129 0.87 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8105205 0.85 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8105015 0.83 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8105656 0.83 PPARG (0.47) AGTR1AGTR2POLBTDP1L3MBTL1
SCHEMBL8095655 0.82 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8109091 0.82 AGTR1 (0.55) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3098772-B2 2000-10-16 JP claimed
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP claimed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO claimed
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