SCHEMBL9022161

SCHEMBL9022161

O=C(O)C(C(=O)[C@H]1CCCN1)C(=O)[C@H]1CCCN1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
DPP4 P27487 4/20 0.40
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.38
FAP Q12884 1/20 0.38
PRCP P42785 1/20 0.37
CTSC P53634 1/20 0.35
GLI1 P08151 1/20 0.35
SCN4A P35499 1/20 0.35

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
SCHEMBL417061 0.82 NOS2 (0.41) NOS2NOS3NOS1DPP4MEN1
SCHEMBL417059 0.82 NOS2 (0.41) NOS2NOS3NOS1DPP4MEN1
SCHEMBL417060 0.82 NOS2 (0.41) NOS2NOS3NOS1DPP4MEN1
SCHEMBL3113842 0.79 NOS2 (0.42) NOS2NOS3NOS1DPP4MEN1
SCHEMBL4458323 0.78 CPN1 (0.41) NOS2NOS3NOS1DPP4MEN1
SCHEMBL4458322 0.78 CPN1 (0.41) NOS2NOS3NOS1DPP4MEN1
SCHEMBL4458327 0.78 CPN1 (0.41) NOS2NOS3NOS1DPP4MEN1
SCHEMBL801077 0.77 NOS2 (0.43) NOS2NOS3NOS1DPP4MEN1
SCHEMBL14443285 0.77 NOS2 (0.43) NOS2NOS3NOS1DPP4MEN1
SCHEMBL800667 0.77 NOS2 (0.43) NOS2NOS3NOS1DPP4MEN1

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
JP-8003132-A None JP disclosed
JP-H083132-A PROLYLPROLINE DERIVATIVE AND ITS NEW PRODUCTION JAPAN TOBACCO INC 1996-01-09 JP disclosed