SCHEMBL7275786

SCHEMBL7275786

N=C(N)c1ccc2c(c1)CN(C(=O)NC[C@@H]1C[C@@H](CC(=O)O)C(=O)N1CCCc1ccccc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.42
ITGA2B P08514 14/20 0.42
ITGAV P06756 2/20 0.41
NAMPT P43490 2/20 0.37
TMPRSS2 O15393 1/20 0.37
F2 P00734 3/20 0.36

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
SCHEMBL7286943 0.95 ITGB3 (0.42) ITGB3ITGA2BITGAVTMPRSS2F2
SCHEMBL7276957 0.93 ITGB3 (0.41) ITGB3ITGA2BITGAVNAMPTF2
Hydrochloric Acid SCHEMBL7277393 0.92 ITGB3 (0.37) ITGB3ITGA2BITGAVNAMPTTMPRSS2
Hydrochloric Acid SCHEMBL7335027 0.92 ITGB3 (0.37) ITGB3ITGA2BITGAVNAMPTTMPRSS2
SCHEMBL7277666 0.91 TMPRSS2 (0.41) ITGB3ITGA2BITGAVNAMPTTMPRSS2
SCHEMBL7275242 0.88 ITGB3 (0.41) ITGB3ITGA2BITGAVF2
SCHEMBL7275263 0.88 TMPRSS2 (0.41) ITGB3ITGA2BITGAVTMPRSS2
SCHEMBL9251785 0.88 TMPRSS2 (0.41) ITGB3ITGA2BITGAVTMPRSS2
Hydrochloric Acid SCHEMBL7276227 0.88 ITGB3 (0.36) ITGB3ITGA2BITGAVTMPRSS2F2
SCHEMBL7283983 0.85 ITGB3 (0.43) ITGB3ITGA2BITGAVNAMPTTMPRSS2

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