SCHEMBL3365032

SCHEMBL3365032

COc1cc(OC)c2c(CN)ncc([N]c3nc4c(s3)CCCC4)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.43
ADRA2A P08913 4/20 0.33
ADRA2B P18089 4/20 0.33
ADRA2C P18825 4/20 0.33
PARP1 P09874 1/20 0.32
LMNA P02545 3/20 0.32
THRB P10828 1/20 0.32
ACHE P22303 4/20 0.31
BCHE P06276 3/20 0.31
CHRM1 P11229 1/20 0.31
MAPT P10636 6/20 0.31
TP53 P04637 3/20 0.31
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PKM P14618 1/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 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
SCHEMBL3365038 0.79 MAPT (0.47) DPP4PARP1LMNATHRBMAPT
Hydrochloric Acid SCHEMBL3361686 0.79 MAPT (0.47) DPP4PARP1LMNATHRBMAPT
SCHEMBL7720652 0.70 MAPT (0.47) DPP4LMNATHRBMAPTTP53
SCHEMBL8361297 0.69 MAPT (0.46) PARP1LMNATHRBMAPTTP53
SCHEMBL3361560 0.64 DPP4 (0.74) DPP4LMNASMN1; SMN2GAA
SCHEMBL7721777 0.64 MAPT (0.40) PARP1LMNATHRBMAPTTP53
SCHEMBL3365420 0.63 NPC1 (0.47) DPP4LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL25389828 0.62 DPP4 (0.47) DPP4ALDH1A1
SCHEMBL3363380 0.61 DPP4 (0.49) DPP4LMNAMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3365128 0.61 DPP4 (0.50) DPP4MAPTALDH1A1MEN1NPC1

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-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US claimed