SCHEMBL7269293

SCHEMBL7269293

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(C)C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.61
LTB4R2 Q9NPC1 11/20 0.52
ABCB11 O95342 1/20 0.52
GP6 Q9HCN6 1/20 0.52

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
SCHEMBL683473 1.00 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL29669823 0.91 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL2251 0.91 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL2252 0.91 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL2373 0.91 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL2874 0.91 AGTR1 (0.52) AGTR1LTB4R2ABCB11GP6
SCHEMBL2875 0.91 AGTR1 (0.52) AGTR1LTB4R2ABCB11GP6
SCHEMBL2353 0.91 AGTR1 (0.65) AGTR1LTB4R2ABCB11GP6
SCHEMBL3439 0.90 AGTR1 (0.57) AGTR1LTB4R2ABCB11GP6
SCHEMBL3438 0.90 AGTR1 (0.57) AGTR1LTB4R2ABCB11GP6

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
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP claimed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP claimed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed