SCHEMBL3596138

SCHEMBL3596138

NCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.40
DPP8 Q6V1X1 2/20 0.40
MARS1 P56192 1/20 0.39
HSD17B13 Q7Z5P4 2/20 0.38
DDR1 Q08345 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRM5 P08912 2/20 0.35
GRIN2B Q13224 1/20 0.35
NSD2 O96028 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MET P08581 1/20 0.35
PRCP P42785 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
SCHEMBL3091375 0.86 DPP4 (0.47) DPP4DPP8NSD2
SCHEMBL3600164 0.86 DPP4 (0.49) DPP4DPP8
SCHEMBL3595932 0.86 DPP4 (0.49) DPP4DPP8
SCHEMBL3096840 0.84 DPP4 (0.46) DPP4DPP8
SCHEMBL3092340 0.82 DPP4 (0.42) DPP4DPP8HSD17B13GRIN2B
SCHEMBL3089796 0.82 DPP4 (0.44) DPP4DPP8
SCHEMBL3091436 0.82 DPP4 (0.46) DPP4DPP8NSD2
SCHEMBL3102277 0.82 DPP4 (0.44) DPP4DPP8NSD2
SCHEMBL3595741 0.82 DPP4 (0.44) DPP4DPP8NSD2
SCHEMBL3079559 0.82 DPP4 (0.51) DPP4DPP8

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-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed