SCHEMBL3365541

SCHEMBL3365541

COc1cc(OC)c2c(CN)ncc(C(=O)N3CCc4ccccc4C3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.56
MAPT P10636 5/20 0.49
HTT P42858 5/20 0.49
POLB P06746 2/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GPR55 Q9Y2T6 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
HPGD P15428 6/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 2/20 0.46
TAAR1 Q96RJ0 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 2/20 0.43

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
SCHEMBL3363962 0.93 DPP4 (0.60) DPP4MAPTHTTPOLBGAA
Hydrochloric Acid SCHEMBL3362014 0.93 DPP4 (0.61) DPP4MAPTHTTPOLBGAA
SCHEMBL3365587 0.86 DPP4 (0.52) DPP4MAPTHTTPOLBGAA
SCHEMBL3361149 0.85 MAPT (0.46) DPP4MAPTHTTPOLBGAA
SCHEMBL3359830 0.79 NAMPT (0.44) DPP4MAPTHTTPOLBGAA
SCHEMBL3361560 0.76 DPP4 (0.74) DPP4GAALMNA
SCHEMBL3365200 0.73 DPP4 (0.53) DPP4MAPTPOLBKDM4EHPGD
SCHEMBL3364123 0.73 KDM4E (0.48) MAPTHTTPOLBGAALMNA
Hydrochloric Acid SCHEMBL3362385 0.72 DPP4 (0.54) DPP4MAPTKDM4EHPGDALDH1A1
SCHEMBL3363889 0.72 DPP4 (0.59) DPP4MAPTHTTGAAHPGD

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