SCHEMBL9429937

SCHEMBL9429937

CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)CC(CC)(CC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 6/20 0.50
AGTR1 P30556 14/20 0.45
AGTR2 P50052 13/20 0.43

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
SCHEMBL9429804 0.95 LTB4R2 (0.43) LTB4R2AGTR1AGTR2
SCHEMBL9430124 0.91 LTB4R2 (0.49) LTB4R2AGTR1AGTR2
SCHEMBL9430059 0.90 LTB4R2 (0.48) LTB4R2AGTR1AGTR2
SCHEMBL9430102 0.86 AGTR1 (0.45) LTB4R2AGTR1AGTR2
SCHEMBL3087 0.86 AGTR1 (0.55) LTB4R2AGTR1AGTR2
SCHEMBL9430064 0.85 LTB4R2 (0.46) LTB4R2AGTR1AGTR2
SCHEMBL9429098 0.85 LTB4R2 (0.54) LTB4R2AGTR1AGTR2
SCHEMBL9429201 0.85 LTB4R2 (0.50) LTB4R2AGTR1AGTR2
SCHEMBL3127151 0.83 LTB4R2 (0.49) LTB4R2AGTR1AGTR2
SCHEMBL8472415 0.83 AGTR1 (0.43) LTB4R2AGTR1AGTR2

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