SCHEMBL7275474

SCHEMBL7275474

N=C(N)c1ccc(-c2cc(C(=O)NC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)c(=O)[nH]n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.53
ITGA2B P08514 10/20 0.53
F2 P00734 1/20 0.38
GSK3B P49841 2/20 0.36
ITGB2 P05107 1/20 0.33
ITGAM P11215 1/20 0.33

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
Hydrochloric Acid SCHEMBL7277643 0.91 ITGB3 (0.45) ITGB3ITGA2BF2GSK3B
SCHEMBL7287750 0.84 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7274152 0.78 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7286517 0.77 TRPA1 (0.38) GSK3B
SCHEMBL7275850 0.77 ITGB3 (0.39) ITGB3ITGA2BF2
SCHEMBL7275443 0.77 ITGB3 (0.58) ITGB3ITGA2BITGB2ITGAM
Hydrochloric Acid SCHEMBL7277401 0.76 ITGB3 (0.43) ITGB3ITGA2BF2
SCHEMBL7284924 0.76 ITGB3 (0.57) ITGB3ITGA2BF2
SCHEMBL8948994 0.75 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7287931 0.74 ITGB3 (0.55) ITGB3ITGA2BF2

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-0528369-B1 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 1999-11-24 EP disclosed
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP disclosed