SCHEMBL31126783

SCHEMBL31126783

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
NOD1 Q9Y239 1/20 0.44
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
FURIN P09958 3/20 0.42
PCSK6 P29122 1/20 0.42
CTSL P07711 1/20 0.41
DPP4 P27487 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41
GSR P00390 1/20 0.40
NPY4R P50391 2/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL31126781 0.95 FURIN (0.45) DPP8DPP9DPP7NOD1GNAI3
SCHEMBL29510852 0.91 FURIN (0.42) DPP8DPP9DPP7NOD1FURIN
SCHEMBL4270994 0.89 FOLH1 (0.48) DPP8DPP9DPP7NOD1GNAI3
SCHEMBL4270981 0.89 FOLH1 (0.48) DPP8DPP9DPP7NOD1GNAI3
SCHEMBL7570529 0.88 DPP8 (0.51) DPP8DPP9DPP7NOD1GNAI3
SCHEMBL30436412 0.88 FOLH1 (0.47) DPP8DPP9DPP7NOD1GNAI3
SCHEMBL21879356 0.87 DPP8 (0.51) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL27562795 0.87 DPP8 (0.50) DPP8DPP9DPP7NOD1GNAI3
SCHEMBL27584028 0.87 DPP8 (0.50) DPP8DPP9DPP7NOD1GNAI3
Acetic Acid SCHEMBL25216563 0.86 FOLH1 (0.46) DPP8DPP9DPP7NOD1GNAI3

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
EP-4687901-A1 A PHARMACEUTICAL COMBINATION FOR USE IN THE TREATMENT OF CANCER Biocanim A.s. (CZ) 2026-02-11 EP disclosed
WO-2024199557-A1 A PHARMACEUTICAL COMBINATION FOR USE IN THE TREATMENT OF CANCER BIOCANIM A.S. (CZ) 2024-10-03 WO disclosed