SCHEMBL11028922

SCHEMBL11028922

NCC(=O)N(C(=O)C(N)Cc1c[nH]cn1)C(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL5598801 0.91 ALPI (0.38) CYP1A2SLC7A5
SCHEMBL3194235 0.90
SCHEMBL5050431 0.90
SCHEMBL29271692 0.89 ALOX15 (0.32)
SCHEMBL259086 0.89 GSR (0.34)
SCHEMBL3948451 0.89 GSR (0.37)
SCHEMBL5155910 0.88 GSR (0.33)
SCHEMBL7586770 0.88 CYP3A4 (0.30) CYP3A4SLC7A5
SCHEMBL27693420 0.85
SCHEMBL15023743 0.84 GSR (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079464-B1 THIAZOLIDINE-4-CARBOXYLIC-ACID DERIVATIVE, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT YASON S.r.l (IT) 1985-08-14 EP disclosed
US-4447419-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT, BRONCHODILATOR, AND TREATMENT OF LIVER DISORDERS AUSONIA FARMACEUTICI S.R.L. (IT) 1984-05-08 US disclosed
EP-0079464-A1 Thiazolidine-4-carboxylic-acid derivative, process for its preparation and pharmaceutical compositions containing it YASON S.r.l (IT) 1983-05-25 EP disclosed