SCHEMBL13039583

SCHEMBL13039583

CCCCOCCOC(=O)N[C@@H](CNc1nc(C)nc(N2CCC(c3ccc4c(n3)NCCC4)CC2)c1C)C(=O)CC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.58
ITGB6 P18564 18/20 0.58
ITGB3 P05106 3/20 0.58
ITGB1 P05556 1/20 0.58
ITGA5 P08648 1/20 0.58
ITGB5 P18084 1/20 0.58
ITGB8 P26012 1/20 0.58

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
SCHEMBL328157 0.92 ITGAV (0.59) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328135 0.92 ITGAV (0.67) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL13039585 0.91 ITGAV (0.57) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL10200502 0.91 ITGAV (0.60) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL13039587 0.91 ITGAV (0.56) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL13039582 0.89 ITGAV (0.59) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL13039589 0.88 ITGAV (0.58) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL13039591 0.86 ITGAV (0.58) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21776208 0.84 ITGAV (0.66) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328042 0.83 ITGAV (0.64) ITGAVITGB6ITGB3ITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825119-B2 Bone disorders such as osteoporosis, tumors and cardiovascular disorders; 4-(2-carboxy-2-Boc-aminoethylamino)-6-piperidinopyrimidines such as tert-butyl 2-benzyloxycarbonylamino-3-[2,5-dimethoxy-6-(4-[1,8]naphthyridin-2-yl-piperidin-1-yl)pyrimidin-4-ylamino]-propionate GALAPAGOS SAS (FR) 2010-11-02 US disclosed
US-7825119-B2 Bone disorders such as osteoporosis, tumors and cardiovascular disorders; 4-(2-carboxy-2-Boc-aminoethylamino)-6-piperidinopyrimidines such as tert-butyl 2-benzyloxycarbonylamino-3-[2,5-dimethoxy-6-(4-[1,8]naphthyridin-2-yl-piperidin-1-yl)pyrimidin-4-ylamino]-propionate GALAPAGOS SAS (FR) 2010-11-02 US disclosed