SCHEMBL7276957

SCHEMBL7276957

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.41
ITGA2B P08514 12/20 0.41
ITGAV P06756 2/20 0.40
NAMPT P43490 5/20 0.39
F2 P00734 2/20 0.37

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
SCHEMBL7275242 0.96 ITGB3 (0.41) ITGB3ITGA2BITGAVF2
SCHEMBL7275786 0.93 ITGB3 (0.42) ITGB3ITGA2BITGAVNAMPTF2
Hydrochloric Acid SCHEMBL7277803 0.92 NAMPT (0.37) ITGB3ITGA2BITGAVNAMPTF2
SCHEMBL7275634 0.91 ITGB3 (0.42) ITGB3ITGA2BITGAVNAMPT
SCHEMBL7275068 0.88 ITGB3 (0.40) ITGB3ITGA2BITGAVNAMPT
SCHEMBL7286943 0.88 ITGB3 (0.42) ITGB3ITGA2BITGAVF2
Hydrochloric Acid SCHEMBL9254383 0.88 ITGB3 (0.36) ITGB3ITGA2BITGAVF2
Hydrochloric Acid SCHEMBL7283820 0.88 ITGB3 (0.36) ITGB3ITGA2BITGAVF2
SCHEMBL7277096 0.86 ITGB3 (0.43) ITGB3ITGA2BITGAVNAMPT
Hydrochloric Acid SCHEMBL7277393 0.85 ITGB3 (0.37) ITGB3ITGA2BITGAVNAMPT

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