SCHEMBL3365200

SCHEMBL3365200

COc1cc2c(CC(=O)N3CCc4ccccc4C3)cnc(CN)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.53
KMT2A Q03164 5/20 0.52
NPC1 O15118 1/20 0.52
MEN1 O00255 4/20 0.51
DPP8 Q6V1X1 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TAAR1 Q96RJ0 1/20 0.47
NOTUM Q6P988 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
POLB P06746 1/20 0.44

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
Hydrochloric Acid SCHEMBL3362385 0.99 DPP4 (0.54) DPP4KMT2ANPC1MEN1DPP8
SCHEMBL3365587 0.84 DPP4 (0.52) DPP4KMT2AMEN1DPP8KDM4E
SCHEMBL3360384 0.83 KMT2A (0.45) KMT2ANPC1MEN1DPP8KDM4E
SCHEMBL3363972 0.79 DPP4 (0.51) DPP4KMT2AMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL3365081 0.78 DPP4 (0.52) DPP4KMT2AMEN1ALDH1A1HPGD
SCHEMBL3456960 0.77 KMT2A (0.61) KMT2ANPC1MEN1DPP8KDM4E
SCHEMBL7723652 0.74 DPP4 (0.73) DPP4HSD17B10
SCHEMBL3365541 0.73 DPP4 (0.56) DPP4KMT2ANPC1KDM4EALDH1A1
SCHEMBL13792321 0.70 DPP4 (1.00) DPP4
SCHEMBL3362127 0.70 DPP4 (0.60) DPP4NPC1MAPK1RAB9A

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 4 patents. 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
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed