SCHEMBL7275850

SCHEMBL7275850

N=C(N)c1ccc(-c2cc(C(=O)NC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)c(=O)[nH]n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.39
ITGA2B P08514 15/20 0.39
ITGAV P06756 2/20 0.39
F2 P00734 4/20 0.37
F10 P00742 1/20 0.35

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 SCHEMBL7277118 0.93 F2 (0.37) ITGB3ITGA2BITGAVF2F10
Water SCHEMBL7273367 0.85 F10 (0.45) ITGB3ITGA2BITGAVF2F10
SCHEMBL7284946 0.83 F10 (0.48) ITGB3ITGA2BITGAVF10
SCHEMBL8882000 0.82 ITGB3 (0.42) ITGB3ITGA2BITGAVF2
SCHEMBL7284387 0.81 HTR1A (0.34)
SCHEMBL7274776 0.81 ITGB3 (0.45) ITGB3ITGA2BITGAVF10
Water SCHEMBL7275070 0.80 DRD4 (0.42) ITGB3ITGA2BITGAVF2F10
Hydrochloric Acid SCHEMBL7272974 0.80 F10 (0.51) ITGB3ITGA2BITGAVF2F10
Water SCHEMBL7271805 0.80 DRD4 (0.41) ITGB3ITGA2BITGAVF2F10
SCHEMBL7285316 0.79 ITGB3 (0.37) ITGB3ITGA2BITGAVF2

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
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US claimed
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