SCHEMBL14899604

SCHEMBL14899604

CC(=O)[C@@H](N)Cc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.52
FAP Q12884 2/20 0.52
DPP8 Q6V1X1 2/20 0.52
DPP9 Q86TI2 2/20 0.52
DPP7 Q9UHL4 2/20 0.52
LOXL2 Q9Y4K0 2/20 0.48
CYP2A6 P11509 1/20 0.47
TPH1 P17752 1/20 0.46
SLC7A5 Q01650 2/20 0.44
GPR142 Q7Z601 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
HTT P42858 1/20 0.44
EPHX1 P07099 1/20 0.43
MAOB P27338 1/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
AKT1 P31749 1/20 0.43

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
SCHEMBL684432 1.00 DPP4 (0.52) DPP4FAPDPP8DPP9DPP7
SCHEMBL8385357 0.86 DPP4 (0.52) DPP4FAPDPP8DPP9DPP7
SCHEMBL838534 0.86 SLC7A5 (0.62) DPP4FAPDPP8DPP9DPP7
SCHEMBL8650928 0.86 DPP4 (0.52) DPP4FAPDPP8DPP9DPP7
SCHEMBL10266644 0.86 DPP4 (0.52) DPP4FAPDPP8DPP9DPP7
SCHEMBL43593 0.86 SLC7A5 (0.62) DPP4FAPDPP8DPP9DPP7
SCHEMBL43594 0.86 SLC7A5 (0.62) DPP4FAPDPP8DPP9DPP7
SCHEMBL20283069 0.85 DPP4 (0.50) DPP4FAPDPP8DPP9DPP7
SCHEMBL12220065 0.85 DPP4 (0.49) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL9710930 0.84 SLC7A5 (0.61) 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
US-RE44186-E1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 US disclosed