SCHEMBL3360384

SCHEMBL3360384

COc1cc2c(CC(=O)N3CCc4ccccc4C3)cnc(CNC(=O)OC(C)(C)C)c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NAMPT P43490 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NOTUM Q6P988 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DRD2 P14416 1/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HCRTR2 O43614 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL3364123 0.87 KDM4E (0.48) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL3365200 0.83 DPP4 (0.53) KMT2ANPC1MEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3362385 0.83 DPP4 (0.54) KMT2ANPC1MEN1KDM4EALDH1A1
SCHEMBL3360363 0.82 CCR3 (0.44) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL3361880 0.78 DPP4 (0.47)
SCHEMBL3361149 0.77 MAPT (0.46) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL3361800 0.75 CTSL (0.43) KMT2ANPC1MEN1L3MBTL1MAPT
SCHEMBL3362189 0.74 DPP4 (0.43) KDM4EL3MBTL1
SCHEMBL3362959 0.74 DPP4 (0.40)
SCHEMBL3361314 0.74 NPC1 (0.44) NPC1ALDH1A1HSD17B10HTTMAPT

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 disclosed