SCHEMBL21075770

SCHEMBL21075770

CC(C)C(=O)N1C[C@H](F)C[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
PEPD P12955 1/20 0.44
XPNPEP1 Q9NQW7 1/20 0.44
PIK3CD O00329 1/20 0.42
ATM Q13315 1/20 0.41
PIN1 Q13526 1/20 0.40
XPNPEP2 O43895 1/20 0.40
ACE P12821 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38

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
SCHEMBL9415825 0.83 DPP4 (0.47) DPP4DPP8DPP9PEPDXPNPEP1
SCHEMBL11449104 0.82 ACE (0.56) PEPDACE
SCHEMBL11449103 0.82 ACE (0.56) PEPDACE
SCHEMBL11450764 0.82 ACE (0.56) PEPDACE
SCHEMBL4251344 0.80 ATM (0.65) DPP4DPP8DPP9PIK3CDATM
SCHEMBL4251347 0.80 ATM (0.65) DPP4DPP8DPP9PIK3CDATM
SCHEMBL4254807 0.80 ATM (0.65) DPP4DPP8DPP9PIK3CDATM
SCHEMBL4254805 0.80 ATM (0.65) DPP4DPP8DPP9PIK3CDATM
SCHEMBL4255717 0.80 ATM (0.65) DPP4DPP8DPP9PIK3CDATM
SCHEMBL12112073 0.80 ATM (0.65) DPP4DPP8DPP9PIK3CDATM

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
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed