SCHEMBL14899591

SCHEMBL14899591

CC1[C@@H](C)C[C@@H](C(N)=O)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C12CC3CC(CC(F)(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
FAP Q12884 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
PEPD P12955 1/20 0.31
XPNPEP1 Q9NQW7 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL14899641 0.90 DPP4 (0.36) DPP4DPP8DPP9FAPDPP7
SCHEMBL8270356 0.90 DPP4 (0.36) DPP4DPP8DPP9FAPDPP7
SCHEMBL8269752 0.90 DPP4 (0.36) DPP4DPP8DPP9FAPDPP7
SCHEMBL14899644 0.85 HDAC4 (0.30) HDAC4HDAC1
SCHEMBL8269749 0.80 DPP4 (0.43) DPP4DPP8DPP9FAPDPP7
SCHEMBL2434106 0.80 DPP4 (0.43) DPP4DPP8DPP9FAPDPP7
SCHEMBL8277771 0.80 DPP4 (0.43) DPP4DPP8DPP9FAPDPP7
SCHEMBL15149979 0.80 DPP4 (0.43) DPP4DPP8DPP9FAPDPP7
SCHEMBL8276954 0.80 DPP4 (0.43) DPP4DPP8DPP9FAPDPP7
SCHEMBL14554067 0.80 DPP4 (0.43) DPP4DPP8DPP9FAPDPP7

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