SCHEMBL5492684

SCHEMBL5492684

O=C(O)CC1Cc2ccc(C(=O)N3CCC(C4CCNCC4)CC3)cc2Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.50
ITGA2B P08514 12/20 0.50
ITGAV P06756 5/20 0.48
ITGB1 P05556 1/20 0.43
ITGB5 P18084 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 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
SCHEMBL7091859 0.86 GPR119 (0.48) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6677720 0.79 ITGB3 (0.69) ITGB3ITGA2BITGAVL3MBTL3L3MBTL1
SCHEMBL7037287 0.79 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7365797 0.78 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL7365800 0.78 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL11677942 0.73 MTNR1A (0.60) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6643325 0.73 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6642395 0.73 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6646029 0.73 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL13801428 0.71 SIGMAR1 (0.72) L3MBTL3L3MBTL1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3960482-B2 2007-08-15 JP claimed
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-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-28 EP claimed
EP-0910563-A4 1999-04-28 EP claimed
WO-1997001540-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-16 WO 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
EP-0910563-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-28 EP disclosed
EP-0910563-A4 1999-04-28 EP disclosed
WO-1997001540-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-16 WO disclosed