SCHEMBL7376058

SCHEMBL7376058

COC(=O)N[C@@H](Cc1ccc(NC(=O)c2cccc(NC(=N)N)c2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.61
ITGAV P06756 10/20 0.61
ITGB1 P05556 10/20 0.61
ITGA2B P08514 9/20 0.61
ITGB5 P18084 7/20 0.61
FPR2 P25090 2/20 0.47
ITGA4 P13612 3/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGA2 P17301 1/20 0.45
ITGB7 P26010 1/20 0.45

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
SCHEMBL7376050 1.00 ITGB3 (0.61) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7377253 0.92 ITGB3 (0.72) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7377256 0.92 ITGB3 (0.72) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7379400 0.91 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7379407 0.91 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7410070 0.91 ITGB3 (0.73) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7410063 0.91 ITGB3 (0.73) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7409522 0.91 ITGB3 (0.73) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7377320 0.90 ITGB1 (0.70) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7377326 0.90 ITGB1 (0.70) ITGB3ITGAVITGB1ITGA2BITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP claimed
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP claimed
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP disclosed
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
US-6251944-B1 (VITRONECTIN RECEPTOR) INTEGRIN ANTAGONIST, USEFUL FOR TREATING ANGIOGENESIS, TUMOR GROWTH, TUMOR METASTASIS, OSTEOPOROSIS AND HUMORAL HYPERCALCEMIA OF MALIGNANCY G. D. SEARLE & COMPANY 2001-06-26 US disclosed
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed