SCHEMBL6586767

SCHEMBL6586767

Cc1ccc(OCCCCN2CCCN(CCc3ccc4ccccc4n3)CC2)c2c1NC(=O)C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
HTR1A P08908 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
PDE10A Q9Y233 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
HTR2A P28223 4/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38
DRD2 P14416 4/20 0.37
SLC6A4 P31645 2/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
HTR3A P46098 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8309662 0.93 HTR1A (0.40) TDP1HTR1AMEN1KMT2AMAPT
SCHEMBL6581635 0.93 HTR1A (0.40) TDP1HTR1AMEN1KMT2AMAPT
SCHEMBL6584265 0.91 HTR1A (0.40) HTR1AMEN1KMT2AMAPTHRH3
SCHEMBL6585830 0.91 HTR1A (0.42) HTR1AMEN1KMT2AMAPTHTR2A
SCHEMBL6584859 0.90 HTR1A (0.41) HTR1AMEN1KMT2AMAPTHRH3
SCHEMBL6585787 0.88 MEN1 (0.43) TDP1HTR1AMEN1KMT2AMAPT
SCHEMBL6585292 0.88 HTR1A (0.42) HTR1AMEN1KMT2AMAPTHTR2A
SCHEMBL6584452 0.85 MEN1 (0.46) HTR1AMEN1KMT2AMAPTHTR7
SCHEMBL7510949 0.83 DRD4 (0.42) HTR1AMEN1KMT2AHTR2AHTR7
SCHEMBL6584451 0.80 HTR1A (0.37) HTR1AMEN1KMT2AMAPTHRH3

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
EP-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed