SCHEMBL7090937

SCHEMBL7090937

O=C(O)CC1Cc2ccc(C(=O)NCCNc3ccccn3)cc2Cc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.69
ITGAV P06756 17/20 0.69
ITGA2B P08514 11/20 0.69
ITGB5 P18084 6/20 0.69
ITGB1 P05556 1/20 0.69
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL7168342 0.82 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL31321064 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL244383 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6657173 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL30894723 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7168382 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL8185613 0.80 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7037287 0.77 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7168401 0.76 ITGB3 (0.74) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7091404 0.73 ITGB3 (0.71) ITGB3ITGAVITGA2BITGB5

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
EP-0910563-B1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP claimed
US-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US claimed
EP-0910563-B1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US disclosed