SCHEMBL9717100

SCHEMBL9717100

CN(C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)[C@@H](CCCCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC15A2 Q16348 1/20 0.43
CTSB P07858 1/20 0.36
ITGB3 P05106 5/20 0.34
ITGA2B P08514 5/20 0.34
F2 P00734 2/20 0.32
FOLH1 Q04609 4/20 0.32
F10 P00742 1/20 0.32
GHSR Q92847 1/20 0.32
CPB2 Q96IY4 2/20 0.31
CPB1 P15086 1/20 0.31
EPOR P19235 1/20 0.31
SLC6A5 Q9Y345 1/20 0.30

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
SCHEMBL9614985 0.90 SLC15A2 (0.38) SLC15A2
SCHEMBL6045787 0.87 SLC15A2 (0.41) SLC15A2ITGB3ITGA2BFOLH1CPB2
SCHEMBL9326673 0.83 GSR (0.35) SLC15A2CTSBITGB3ITGA2BCPB2
SCHEMBL6729163 0.83 ITGB3 (0.41) SLC15A2ITGB3ITGA2BCPB2SLC6A5
SCHEMBL259084 0.81 SLC15A2 (0.64) SLC15A2ITGB3ITGA2BFOLH1GHSR
SCHEMBL8832939 0.81 SLC15A2 (0.64) SLC15A2ITGB3ITGA2BFOLH1GHSR
SCHEMBL3948444 0.81 SLC15A2 (0.59) SLC15A2ITGB3ITGA2BFOLH1GHSR
SCHEMBL5598418 0.81 SLC15A2 (0.64) SLC15A2ITGB3ITGA2BFOLH1GHSR
SCHEMBL10595108 0.81 SLC15A2 (0.64) SLC15A2ITGB3ITGA2BFOLH1GHSR
Lysine SCHEMBL28465641 0.81 SLC15A2 (0.48) SLC15A2ITGB3ITGA2B

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
EP-0313643-B1 METHODS AND COMPOSITIONS FOR PREVENTING ULCERS PROCYTE CORPORATION (US) 1992-07-29 EP disclosed