SCHEMBL7429424

SCHEMBL7429424

N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)O)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.77
ANPEP P15144 1/20 0.60
HTT P42858 1/20 0.58
CPB1 P15086 1/20 0.57
CPB2 Q96IY4 1/20 0.57
DPP8 Q6V1X1 2/20 0.57
DPP7 Q9UHL4 2/20 0.57
PTGER4 P35408 2/20 0.54
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
DPP4 P27487 1/20 0.53
DPP9 Q86TI2 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53

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
SCHEMBL1509765 0.90 CPB1 (0.70) FOLH1ANPEPCPB1CPB2DPP8
SCHEMBL9498688 0.87 FOLH1 (0.67) FOLH1ANPEPCPB1CPB2DPP8
SCHEMBL18145488 0.87 FOLH1 (1.00) FOLH1HTTCPB1CPB2MMP2
SCHEMBL14729484 0.87 FOLH1 (1.00) FOLH1HTTCPB1CPB2MMP2
SCHEMBL18161459 0.87 FOLH1 (1.00) FOLH1HTTCPB1CPB2MMP2
SCHEMBL19742200 0.87 FOLH1 (1.00) FOLH1HTTCPB1CPB2MMP2
SCHEMBL20341461 0.85 FOLH1 (0.84) FOLH1HTTCPB1CPB2MMP2
SCHEMBL22712984 0.85 FOLH1 (1.00) FOLH1HTTCPB1CPB2MMP2
SCHEMBL18145837 0.85 FOLH1 (1.00) FOLH1HTTCPB1CPB2MMP2
SCHEMBL18161580 0.85 FOLH1 (1.00) FOLH1HTTCPB1CPB2MMP2

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-0244836-B1 TRIPEPTIDE DERIVATIVES Dainippon Pharmaceutical Co., Ltd. (JP) 1993-08-18 EP disclosed