SCHEMBL7348381

SCHEMBL7348381

COc1ccc(CC(=O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCCNC(=N)N)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.59
ITGA2B P08514 5/20 0.59
PTPN1 P18031 2/20 0.48
NPY4R P50391 4/20 0.43
NPY5R Q15761 4/20 0.43
NPY1R P25929 3/20 0.43
NPY2R P49146 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
CTSD P07339 1/20 0.41

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
SCHEMBL7314892 1.00 ITGB3 (0.59) ITGB3ITGA2BPTPN1NPY4RNPY5R
SCHEMBL7378604 1.00 ITGB3 (0.59) ITGB3ITGA2BPTPN1NPY4RNPY5R
SCHEMBL7343916 1.00 ITGB3 (0.59) ITGB3ITGA2BPTPN1NPY4RNPY5R
SCHEMBL9505510 0.90 ITGB3 (0.49) ITGB3ITGA2BHDAC1CTSD
SCHEMBL10444991 0.90 ITGB3 (0.48) ITGB3ITGA2BPTPN1HDAC1HDAC7
SCHEMBL9505922 0.88 ITGB3 (0.55) ITGB3ITGA2BPTPN1HDAC1
SCHEMBL8408579 0.86 ITGB3 (0.46) ITGB3ITGA2BPTPN1NPY4RNPY5R
SCHEMBL7318679 0.82 ITGB3 (0.48) ITGB3ITGA2BPTPN1
SCHEMBL7436661 0.76 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL7343514 0.76 ITGB3 (0.48) ITGB3ITGA2BPTPN1NPY4RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0352249-B1 NOVEL PLATELET-AGGREGATION INHIBITORS Monsanto Company (US) 1993-09-08 EP claimed
EP-0352249-A1 Novel platelet-aggregation inhibitors Monsanto Company (US) 1990-01-24 EP claimed
US-4879313-A ANTICOAGULANTS MOSANTO COMPANY (US) 1989-11-07 US claimed
EP-0352249-B1 NOVEL PLATELET-AGGREGATION INHIBITORS Monsanto Company (US) 1993-09-08 EP disclosed
US-4992463-A Thienyl peptide mimetic compounds which are useful in inhibiting platelet aggregation MONSANTO COMPANY (US) 1991-02-12 US disclosed
EP-0352249-A1 Novel platelet-aggregation inhibitors Monsanto Company (US) 1990-01-24 EP disclosed
US-4879313-A ANTICOAGULANTS MOSANTO COMPANY (US) 1989-11-07 US disclosed