SCHEMBL1769745

SCHEMBL1769745

NC(=O)CCCCCC(C(N)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.51
CHRM2 P08172 4/20 0.51
KCNH2 Q12809 3/20 0.51
LMNA P02545 2/20 0.51
CYP2D6 P10635 1/20 0.51
CHRM1 P11229 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
MAPT P10636 2/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 2/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
PGR P06401 1/20 0.40
THRB P10828 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
SCHEMBL10596455 1.00 CHRM3 (0.51) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL4146916 1.00 CHRM3 (0.51) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL4138872 0.93 CHRM3 (0.54) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL4153935 0.87 CHRM3 (0.55) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL7643094 0.85 CHRM3 (0.54) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL18248596 0.85 CHRM3 (0.54) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL28118919 0.85 CHRM2 (0.40) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL18248486 0.85 CHRM3 (0.54) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL17749475 0.84 CHRM3 (0.53) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL10607860 0.84 KCNH2 (0.38) CHRM3CHRM2KCNH2LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011061545-A1 HPLC METHOD FOR ANALYZING VORINOSTAT GENERICS [UK] LIMITED (GB) 2011-05-26 WO claimed
CN-103018347-B High-performance liquid chromatography analysis method for impurities in vorinostat and drug composition thereof BEIJING BENCAO TIANYUAN PHARMACEUTICAL RES INST 2015-07-15 CN disclosed
CN-103018346-A High-performance liquid chromatography analysis method for impurities in vorinostat and drug composition thereof BEIJING BENCAO TIANYUAN PHARMACEUTICAL RES INST 2013-04-03 CN disclosed
CN-103018347-A High-performance liquid chromatography analysis method for impurities in vorinostat and drug composition thereof BEIJING BENCAO TIANYUAN PHARMACEUTICAL RES INST 2013-04-03 CN disclosed
EP-1260529-A1 Propylene polymers with improved properties Borealis Technology OY (FI) 2002-11-27 EP disclosed