SCHEMBL7264402

SCHEMBL7264402

Nc1ncc(NCCCOc2ccc(CC(CC(=O)O)c3ccccc3)cc2)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.65
ITGAV P06756 10/20 0.65
ITGB1 P05556 5/20 0.65
ITGB6 P18564 4/20 0.65
ITGB5 P18084 3/20 0.65
ITGA2B P08514 1/20 0.46
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
ITGA5 P08648 2/20 0.40
ALOX15 P16050 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
LTA4H P09960 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL6176988 0.81 ITGB3 (0.80) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6176984 0.81 ITGB3 (0.80) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL7264202 0.80 ITGB3 (0.70) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL7259145 0.80 ITGB3 (0.64) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL7264209 0.80 ITGB3 (0.75) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6176461 0.79 ITGB3 (1.00) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6176963 0.79 ITGB3 (1.00) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6176936 0.79 ITGB3 (1.00) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL7260158 0.78 ITGB3 (0.76) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL7259087 0.77 ITGB3 (0.75) ITGB3ITGAVITGB1ITGB6ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645991-B1 Glycoprotein adhesion receptor antagonists such as 3-phenyl-4-(4-(3-(pyridin-2-ylamino)propoxy)phenyl)-butyric acid, used for prophylaxis of tumors, osteoporosis, cardiovascular diseases, fibrosis, inflammation, infections or psoriasis MERCK PATENT GMBH (DE) 2003-11-11 US disclosed