SCHEMBL13612016

SCHEMBL13612016

CC1=NC2=NC(C(=O)N3CCCC3)CN2C(c2ccc(Cl)cc2Cl)=C1CN

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.44
DPP8 Q6V1X1 4/20 0.44
DPP9 Q86TI2 2/20 0.40
CNR1 P21554 8/20 0.38
CNR2 P34972 6/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALPL P05186 3/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PROKR1 Q8TCW9 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
SCHEMBL13611869 0.89 DPP4 (0.36) DPP4DPP8DPP9
SCHEMBL13612018 0.85 DPP4 (0.50) DPP4DPP8DPP9CNR1CNR2
SCHEMBL13612014 0.84 MAPT (0.40) DPP4DPP8DPP9CNR1NPC1
SCHEMBL13612029 0.84 DPP4 (0.48) DPP4DPP8DPP9MEN1KMT2A
SCHEMBL13611879 0.84 DPP4 (0.48) DPP4DPP8DPP9MEN1KMT2A
SCHEMBL13612028 0.81 MEN1 (0.36) DPP4DPP8MEN1KMT2A
SCHEMBL13612035 0.79 MAPT (0.41) DPP4CNR1CNR2MEN1KMT2A
SCHEMBL13611902 0.79 DPP4 (0.46) DPP4DPP8DPP9CNR1CNR2
SCHEMBL13611767 0.79 TDP1 (0.38) DPP4DPP8DPP9CNR1RAB9A
SCHEMBL13612023 0.78 ALDH1A1 (0.38) DPP4DPP8DPP9MEN1KMT2A

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