SCHEMBL9668394

SCHEMBL9668394

CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)C(Cl)C(=O)C(Cl)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)[C@H](C)CC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.41
DPP8 Q6V1X1 3/20 0.41
DPP9 Q86TI2 3/20 0.41
DPP7 Q9UHL4 3/20 0.41
FAP Q12884 2/20 0.41
XIAP P98170 1/20 0.41
GRB2 P62993 1/20 0.39
NTSR2 O95665 1/20 0.37
NTSR1 P30989 1/20 0.37
SORT1 Q99523 1/20 0.37
NPY1R P25929 1/20 0.37
PLK1 P53350 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36

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
SCHEMBL29959591 0.89 XIAP (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL10653187 0.88 GRB2 (0.43) DPP4DPP8DPP9DPP7FAP
SCHEMBL10701287 0.87 XIAP (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL10653313 0.85 GRB2 (0.43) DPP4DPP8DPP9DPP7FAP
SCHEMBL29391363 0.81 GRB2 (0.55) DPP4DPP8DPP9DPP7FAP
SCHEMBL29978208 0.81 MAPK8 (0.50) GRB2NTSR2NTSR1SORT1NPY1R
SCHEMBL29441906 0.81 NPY1R (0.43) XIAPGRB2NTSR2NTSR1SORT1
SCHEMBL29636207 0.80 GRB2 (0.49) DPP4DPP7XIAPGRB2OPRM1
SCHEMBL23256152 0.80 OPRM1 (0.51) OPRM1OPRK1
SCHEMBL5056855 0.80 OPRM1 (0.51) OPRM1OPRK1

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
US-5096811-A Tripeptide chloromethyl ketone enzyme inhibitor GENENTECH, INC. (US) 1992-03-17 US disclosed
EP-0237332-A1 Assay for thrombosis-related materials GENENTECH, INC. (US) 1987-09-16 EP disclosed