SCHEMBL16103308

SCHEMBL16103308

CN(CCN(C)C(=O)OC(C)(C)C)Cc1cn([C@H]2CCCCO2)nc1-c1ccc(F)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.41
SLC6A4 P31645 7/20 0.41
HTR2A P28223 1/20 0.38
ABL1 P00519 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
RET P07949 1/20 0.30
CYP4F2 P78329 1/20 0.30

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
SCHEMBL16103309 1.00 HTR2C (0.41) HTR2CSLC6A4HTR2AABL1LMNA
SCHEMBL16125925 0.90 HTR2C (0.38) HTR2CSLC6A4HTR2AABL1LMNA
SCHEMBL19409291 0.89 HTR2C (0.40) HTR2CSLC6A4HTR2AABL1LMNA
SCHEMBL16102383 0.89 ABL1 (0.36) HTR2CSLC6A4ABL1LMNAMEN1
SCHEMBL16125931 0.88 HTR2C (0.36) HTR2CSLC6A4HTR2AABL1LMNA
SCHEMBL16068284 0.88 HTR2C (0.38) HTR2CSLC6A4HTR2AABL1LMNA
SCHEMBL16125924 0.88 HTR2C (0.37) HTR2CSLC6A4HTR2AABL1LMNA
SCHEMBL16068182 0.87 HTR2C (0.37) HTR2CSLC6A4HTR2AABL1LMNA
SCHEMBL16201299 0.85 HTR2C (0.36) HTR2CSLC6A4HTR2AABL1LMNA
SCHEMBL16058330 0.85 HTR2C (0.36) HTR2CSLC6A4HTR2AABL1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970181-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-20 EP disclosed
WO-2014153208-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 WO disclosed