SCHEMBL11199708

SCHEMBL11199708

N#CC1CN1C(=O)Oc1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.43
DPP8 Q6V1X1 3/20 0.43
DPP9 Q86TI2 3/20 0.43
FAP Q12884 2/20 0.43
RBP4 P02753 2/20 0.38
TTR P02766 3/20 0.36
SSTR1 P30872 2/20 0.36
SSTR4 P31391 2/20 0.36
FFAR1 O14842 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
PPARG P37231 1/20 0.36
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
AR P10275 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
SCD O00767 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL11193895 0.82 USP30 (0.43) DPP4DPP8DPP9FAPDPP7
SCHEMBL11201841 0.81 PREP (0.37) DPP4DPP8DPP9FAPDPP7
SCHEMBL11202033 0.80 BCHE (0.45) DPP4FAP
SCHEMBL11200439 0.80 BCHE (0.45) DPP4DPP8DPP9FAPDPP7
SCHEMBL11195633 0.80 PREP (0.36) DPP4DPP8DPP9FAPDPP7
SCHEMBL11193373 0.80 BCHE (0.45) DPP4DPP8DPP9FAPFFAR1
SCHEMBL11200386 0.77 PREP (0.53) DPP4FAP
SCHEMBL11196337 0.77 KIF11 (0.44) DPP4DPP8DPP9FAPDPP7
SCHEMBL11200651 0.76 MAPT (0.42)
SCHEMBL4729725 0.76 SMN1; SMN2 (0.50) DPP4

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-4376731-A 2-NITRILES THEREOF BOEHRINGER MANNHEIM GMBH (DE) 1983-03-15 US disclosed