SCHEMBL28312067

SCHEMBL28312067

CC(=O)OC(=O)[C@@H](N)CCCCN.N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC15A2 Q16348 1/20 0.46
NLN Q9BYT8 1/20 0.46
CPB2 Q96IY4 1/20 0.45
CYP3A4 P08684 1/20 0.45
SLC7A5 Q01650 1/20 0.45

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
SCHEMBL305857 0.81 CYP3A4 (0.56) SLC15A2CPB2CYP3A4SLC7A5
SCHEMBL902056 0.81 CYP3A4 (0.56) SLC15A2CPB2CYP3A4SLC7A5
SCHEMBL27432299 0.81 CYP3A4 (0.66) NLNCYP3A4SLC7A5
SCHEMBL29867441 0.79 SLC15A2 (0.62) SLC15A2CPB2CYP3A4SLC7A5
SCHEMBL7160645 0.79 SLC15A2 (0.51) SLC15A2NLNCPB2CYP3A4SLC7A5
SCHEMBL1537239 0.78 CPB2 (0.60) CPB2CYP3A4SLC7A5
SCHEMBL162081 0.78 CYP3A4 (0.63) CYP3A4SLC7A5
SCHEMBL29429285 0.77 CYP3A4 (0.59) NLNCYP3A4SLC7A5
SCHEMBL7162432 0.77 CYP3A4 (0.61) CYP3A4SLC7A5
Water SCHEMBL4467558 0.77 CYP3A4 (0.61) CYP3A4SLC7A5

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
CN-109988304-A The synthetic method of the poly-aspartate derivant of glycine histidyl lysine grafting 苏州美瑞姿生物科技有限公司 2019-07-09 CN claimed
CN-109988304-A The synthetic method of the poly-aspartate derivant of glycine histidyl lysine grafting 苏州美瑞姿生物科技有限公司 2019-07-09 CN disclosed