SCHEMBL6032832

SCHEMBL6032832

CCCCS(=O)(=O)NC(Cc1ccc(OCCC2CN(c3ccc(C(=N)N)cc3)C(=O)O2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.56
ITGA2B P08514 18/20 0.56
ITGAV P06756 1/20 0.52
CHRM2 P08172 1/20 0.52
SLC6A4 P31645 1/20 0.52
GRM2 Q14416 2/20 0.46
PRSS1 P07477 6/20 0.43
PRSS2 P07478 6/20 0.43
PRSS3 P35030 6/20 0.43
F10 P00742 4/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL6031936 0.93 ITGB3 (0.46) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL3267022 0.93 ITGB3 (0.57) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7238070 0.91 ITGB3 (0.54) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7229085 0.90 ITGB3 (0.54) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7228211 0.90 ITGB3 (0.54) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL3267949 0.88 ITGB3 (0.51) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7236076 0.87 ITGB3 (0.50) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL3266803 0.86 GRM2 (0.52) ITGB3ITGA2BGRM2PRSS1PRSS2
SCHEMBL7238569 0.84 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7229618 0.81 GRM2 (0.50) ITGB3ITGA2BGRM2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613268-A2 METHODS FOR INHIBITION OF ANGIOGENESIS The Scripps Research Institute (US) 2006-01-11 EP disclosed
WO-2004087057-A2 METHODS FOR INHIBITION OF ANGIOGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2004-10-14 WO disclosed
WO-1997006791-A9 METHODS AND COMPOSITIONS USEFUL FOR INHIBITION OF αvβ5 MEDIATED ANGIOGENESIS 1997-04-03 WO disclosed