SCHEMBL13611767

SCHEMBL13611767

CC1=NC2=NC(C(=O)NCCc3ccccc3)CN2C(c2ccc(Cl)cc2Cl)=C1CN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
DPP4 P27487 3/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
CNR1 P21554 1/20 0.38
MGLL Q99685 1/20 0.37
GSK3B P49841 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
GLA P06280 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
BRS3 P32247 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.36
EPHX2 P34913 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL13612035 0.88 MAPT (0.41) DPP4CNR1
SCHEMBL13612028 0.84 MEN1 (0.36) DPP4DPP8ALDH1A1EPHX2
SCHEMBL13612038 0.82 KMT2A (0.41) DPP4CNR1ATMALDH1A1CHRM4
SCHEMBL13612023 0.81 ALDH1A1 (0.38) DPP4DPP8DPP9ALDH1A1GLA
SCHEMBL13611902 0.80 DPP4 (0.46) DPP4DPP8DPP9CNR1EPHX2
SCHEMBL13612014 0.80 MAPT (0.40) DPP4DPP8DPP9CNR1ALDH1A1
SCHEMBL13612016 0.79 DPP4 (0.44) DPP4DPP8DPP9CNR1RAB9A
SCHEMBL13611869 0.75 DPP4 (0.36) DPP4DPP8DPP9
SCHEMBL13612007 0.75 DPP4 (0.35) DPP4DPP8DPP9TAAR1CYP3A4
SCHEMBL13612018 0.73 DPP4 (0.50) DPP4DPP8DPP9CNR1EPHX2

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