SCHEMBL13612018

SCHEMBL13612018

CC1=NC2=NC(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)CN2C(c2ccc(Cl)cc2Cl)=C1CN

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.50
DPP8 Q6V1X1 6/20 0.50
DPP9 Q86TI2 4/20 0.50
SMO Q99835 6/20 0.34
EPHX2 P34913 2/20 0.33
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
DDR1 Q08345 2/20 0.32
SLC2A2 P11168 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL13612016 0.85 DPP4 (0.44) DPP4DPP8DPP9CNR1CNR2
SCHEMBL13611869 0.81 DPP4 (0.36) DPP4DPP8DPP9
SCHEMBL13611902 0.77 DPP4 (0.46) DPP4DPP8DPP9SMOEPHX2
SCHEMBL13612014 0.77 MAPT (0.40) DPP4DPP8DPP9CNR1
SCHEMBL13612029 0.76 DPP4 (0.48) DPP4DPP8DPP9SMO
SCHEMBL13612028 0.75 MEN1 (0.36) DPP4DPP8EPHX2
SCHEMBL13612035 0.74 MAPT (0.41) DPP4CNR1CNR2
SCHEMBL13611767 0.73 TDP1 (0.38) DPP4DPP8DPP9EPHX2CNR1
SCHEMBL13612023 0.72 ALDH1A1 (0.38) DPP4DPP8DPP9
SCHEMBL13612049 0.71 ANO1 (0.40) DPP4DPP8DPP9SMOEPHX2

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-7635699-B2 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-22 US disclosed