SCHEMBL3601689

SCHEMBL3601689

NCc1c(-c2ccc(Cl)cc2Cl)ncn1CCOc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.46
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP3A4 P08684 1/20 0.41
DPP8 Q6V1X1 2/20 0.40
ALDH1A1 P00352 1/20 0.39
NSD2 O96028 1/20 0.39
NSD3 Q9BZ95 1/20 0.39

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
SCHEMBL3601749 0.85 DPP4 (0.47) DPP4LMNANPC1RAB9APKM
SCHEMBL3604955 0.84 DPP4 (0.48) DPP4SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL3079559 0.82 DPP4 (0.51) DPP4CYP3A4DPP8ALDH1A1
SCHEMBL3598381 0.82 DPP4 (0.49) DPP4CYP3A4DPP8
SCHEMBL3585733 0.82 DPP4 (0.46) DPP4SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL3600280 0.82 DPP4 (0.41) DPP4LMNANPC1RAB9APKM
SCHEMBL3603961 0.81 DPP4 (0.46) DPP4SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL3590139 0.81 DPP4 (0.46) DPP4CYP3A4DPP8
SCHEMBL3091767 0.81 DPP4 (0.50) DPP4DPP8NSD2
SCHEMBL3600930 0.81 DPP4 (0.46) DPP4CYP3A4DPP8

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