SCHEMBL27464155

SCHEMBL27464155

CCCCS(=O)(=O)NC(CNC(=O)CCCOc1ccc(C(=N)N)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.59
ITGA2B P08514 16/20 0.59
ITGAV P06756 3/20 0.50
CHRM2 P08172 1/20 0.47
SLC6A4 P31645 1/20 0.47
MRGPRX1 Q96LB2 1/20 0.46

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
SCHEMBL7753658 1.00 ITGB3 (0.59) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL27464162 0.97 ITGB3 (0.58) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7754691 0.97 ITGB3 (0.58) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL27464156 0.86 HPGD (0.45) ITGB3ITGA2BITGAV
SCHEMBL27547990 0.83 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL7752535 0.83 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL7752448 0.83 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7748703 0.83 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL27464163 0.83 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7752678 0.81 ITGAV (0.49) ITGB3ITGA2BITGAV

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
CN-1138322-A 2,3-diaminopropionic acid derivative SUMITOMO PHARMA (JP) 1996-12-18 CN disclosed