SCHEMBL28499545

SCHEMBL28499545

COC(=O)C1CN(C(=O)C(N)Cc2ccc(C)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
DPP4 P27487 7/20 0.48
FAP Q12884 4/20 0.48
DPP8 Q6V1X1 4/20 0.48
DPP9 Q86TI2 4/20 0.48
DPP7 Q9UHL4 4/20 0.48
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
AKT3 Q9Y243 1/20 0.44
HDAC8 Q9BY41 4/20 0.43
POLB P06746 2/20 0.40

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
SCHEMBL29910014 1.00 ALDH1A1 (0.50) ALDH1A1DPP4FAPDPP8DPP9
SCHEMBL7459343 0.88 HDAC8 (0.57) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL7459347 0.87 HDAC8 (0.58) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL7459337 0.87 HDAC8 (0.58) DPP4FAPDPP8DPP9DPP7
SCHEMBL23211355 0.85 S1PR1 (0.51) DPP4FAPDPP8DPP9DPP7
SCHEMBL21410996 0.85 S1PR1 (0.51) DPP4FAPDPP8DPP9DPP7
SCHEMBL23211432 0.84 DPP4 (0.50) DPP4FAPDPP8DPP9DPP7
SCHEMBL23211434 0.84 DPP4 (0.50) DPP4FAPDPP8DPP9DPP7
SCHEMBL22255191 0.82 DPP4 (0.53) DPP4FAPDPP8DPP9DPP7
SCHEMBL23211354 0.78 DPP7 (0.56) DPP4FAPDPP8DPP9DPP7

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
CN-112165940-A OX2R compound 德克萨斯州立大学董事会 2021-01-01 CN disclosed