SCHEMBL9429192

SCHEMBL9429192

CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)CCC(C)(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.45
LTB4R2 Q9NPC1 7/20 0.43
AGTR2 P50052 8/20 0.39
ABCB11 O95342 1/20 0.38
GP6 Q9HCN6 1/20 0.38

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
SCHEMBL9429201 0.95 LTB4R2 (0.50) AGTR1LTB4R2AGTR2
SCHEMBL9429450 0.90 AGTR1 (0.42) AGTR1LTB4R2AGTR2
SCHEMBL9430102 0.90 AGTR1 (0.45) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL2189 0.85 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL9430059 0.85 LTB4R2 (0.48) AGTR1LTB4R2AGTR2
SCHEMBL9429429 0.85 AGTR1 (0.44) AGTR1LTB4R2AGTR2
SCHEMBL9430124 0.85 LTB4R2 (0.49) AGTR1LTB4R2AGTR2
SCHEMBL9429804 0.84 LTB4R2 (0.43) AGTR1LTB4R2AGTR2
SCHEMBL9430054 0.82 AGTR1 (0.41) AGTR1LTB4R2AGTR2
SCHEMBL2673 0.82 AGTR1 (0.58) AGTR1LTB4R2AGTR2ABCB11GP6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5369110-A Hypotensive agents, cardiac insufficiency treatment CIBA-GEIGY CORPORATION (US) 1994-11-29 US claimed
EP-0490820-A2 Biphenylyl compounds CIBA-GEIGY AG (CH) 1992-06-17 EP claimed
US-5369110-A Hypotensive agents, cardiac insufficiency treatment CIBA-GEIGY CORPORATION (US) 1994-11-29 US disclosed
EP-0490820-A2 Biphenylyl compounds CIBA-GEIGY AG (CH) 1992-06-17 EP disclosed