SCHEMBL9258046

SCHEMBL9258046

CC(OC(=O)Nc1ccccc1)c1ccccc1N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.51
MAPT P10636 6/20 0.49
KMT2A Q03164 4/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL8944152 0.77 MEN1 (0.50) MAPTKMT2AALOX15MEN1ALDH1A1
SCHEMBL9301334 0.75 MAPT (0.58) PANK3MAPTKMT2AALOX15MEN1
SCHEMBL27450197 0.72 HPGD (0.72) MAPTKMT2AHPGDALOX15HTT
Chlorpropham SCHEMBL29396411 0.72 HPGD (0.91) MAPTKMT2AHPGDALOX15HTT
SCHEMBL9646111 0.68 ALDH1A1 (0.73) MAPTKMT2AHTTMEN1ALDH1A1
SCHEMBL19748868 0.68 PANK3 (1.00) PANK3MAPTHTTALDH1A1MAPK1
Chlorpropham SCHEMBL54464 0.67 HPGD (1.00) MAPTKMT2AHPGDALOX15HTT
Chlorpropham SCHEMBL22437601 0.67 HPGD (1.00) MAPTKMT2AHPGDALOX15HTT
Chlorpropham SCHEMBL8538082 0.67 HPGD (1.00) MAPTKMT2AHPGDALOX15HTT
SCHEMBL15741927 0.67 HPGD (0.76) MAPTKMT2AHPGDALOX15HTT

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-5382583-A Hydroxytryptamine antagonists JOHN WYETH & BROTHER, LIMITED (GB) 1995-01-17 US disclosed