SCHEMBL5011379

SCHEMBL5011379

COc1ccccc1Cn1c(=O)[nH]c2cc(C(=O)NCCCN3CCCCC3)ccc2c1=O

nearest known ligand 0.91

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 10/20 0.91
ALDH1A1 P00352 6/20 0.74
CACNA1G O43497 5/20 0.74
GAA P10253 4/20 0.74
HSD17B10 Q99714 4/20 0.74
GLA P06280 2/20 0.74
MAPT P10636 2/20 0.74
NPSR1 Q6W5P4 1/20 0.74
HTT P42858 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
KDM4E B2RXH2 2/20 0.70
KMT2A Q03164 1/20 0.70
LMNA P02545 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
HPGD P15428 1/20 0.61

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
SCHEMBL8222485 0.95 HTR3A (1.00) HTR3AALDH1A1CACNA1GGAAHSD17B10
SCHEMBL5014211 0.88 HTR3A (0.90) HTR3AALDH1A1CACNA1GGAAHSD17B10
SCHEMBL5011323 0.85 HTR3A (0.91) HTR3AALDH1A1CACNA1GGAAHSD17B10
SCHEMBL8222473 0.82 HTR3A (1.00) HTR3AALDH1A1CACNA1GGAAHSD17B10
SCHEMBL8228010 0.82 HTR3A (1.00) HTR3AALDH1A1CACNA1GGAAHSD17B10
SCHEMBL8227894 0.81 CACNA1G (1.00) HTR3AALDH1A1CACNA1GGAAHSD17B10
SCHEMBL8230075 0.80 HTR3A (1.00) HTR3AALDH1A1CACNA1GGAAHSD17B10
SCHEMBL8230064 0.80 HTR3A (1.00) HTR3AALDH1A1CACNA1GGAAHSD17B10
SCHEMBL4248735 0.80 HTR3A (0.67) HTR3AALDH1A1GAAHSD17B10GLA
SCHEMBL4249481 0.79 HTR3A (0.66) HTR3AALDH1A1GAAHSD17B10MAPT

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
WO-2008007835-A1 2,4-QUINAZOLINE DERIVATIVES HAVING ACTIVITY TO T-TYPE CALCIUM CHANNEL AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-01-17 WO disclosed