SCHEMBL7516103

SCHEMBL7516103

N=C(N)Nc1cccc(C(=O)Nc2ccc(CC(NC(=O)N3CCCCC3)C(=O)O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.51
ITGA2B P08514 10/20 0.51
ITGAV P06756 9/20 0.51
ITGB1 P05556 7/20 0.51
ITGB5 P18084 7/20 0.51
POLB P06746 3/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
FPR2 P25090 1/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
ST14 Q9Y5Y6 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
SCHEMBL7516114 1.00 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7378160 0.91 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7381188 0.91 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7516132 0.88 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7516139 0.88 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7410034 0.85 POLB (0.45) POLBGAAFPR2F2F10
SCHEMBL7378190 0.85 ITGB3 (0.57) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7378185 0.85 ITGB3 (0.57) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7377320 0.84 ITGB1 (0.70) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7377326 0.84 ITGB1 (0.70) ITGB3ITGA2BITGAVITGB1ITGB5

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-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-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 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