SCHEMBL9119690

SCHEMBL9119690

CCCCc1nc(Cl)c(C=O)n1Cc1ccc(C(=O)OC)cn1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.48
AGTR2 P50052 6/20 0.48
GP6 Q9HCN6 1/20 0.45
TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL3324054 0.87 AGTR1 (0.59) AGTR1AGTR2GP6TLR7
SCHEMBL9122452 0.82 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL4544029 0.78 AGTR1 (0.54) AGTR1AGTR2GP6
SCHEMBL9141187 0.78 AGTR1 (0.58) AGTR1AGTR2GP6
SCHEMBL15331639 0.76 TLR7 (0.54) AGTR1AGTR2TLR7
SCHEMBL9010378 0.76 AGTR1 (0.59) AGTR1AGTR2GP6
SCHEMBL14020694 0.76 TLR7 (0.54) AGTR1AGTR2TLR7
SCHEMBL1258839 0.76 TLR7 (0.53) AGTR1AGTR2TLR7
SCHEMBL359 0.74 GP6 (0.63) AGTR1AGTR2GP6
SCHEMBL20503310 0.74 MAPK1 (0.54) TLR7

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-5447949-A Vision defects or cardiovascular disorders SMITHKLINE BEECHAM CORPORATION (US) 1995-09-05 US disclosed
WO-1992020651-A2 N-(HETEROARYL)-IMIDAZOLYL-ALKENOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-11-26 WO disclosed