SCHEMBL8549469

SCHEMBL8549469

COc1c(CCCN(C)C)ccc2c1N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 14/20 0.59
HTR1B P28222 12/20 0.59
HTR2A P28223 10/20 0.59
MEN1 O00255 5/20 0.46
MAPT P10636 5/20 0.46
KMT2A Q03164 5/20 0.46
TDP1 Q9NUW8 5/20 0.46
MAPK1 P28482 4/20 0.46
TP53 P04637 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP1A2 P05177 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
SLC6A4 P31645 4/20 0.46
HTR2C P28335 3/20 0.46
CHRM2 P08172 2/20 0.46

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
SCHEMBL8543307 0.87 HTR1D (0.71) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL8389415 0.86 HTR1D (0.72) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL5432776 0.79 HTR1D (0.91) HTR1DHTR1BHTR2AMEN1MAPT
Oxalic Acid SCHEMBL6924129 0.75 HTR1D (0.86) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL5426990 0.75 HTR1D (0.66) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL6928454 0.74 HTR1D (1.00) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL8147188 0.73 HTR1D (0.66) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL7175126 0.73 HTR1D (0.59) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL7403529 0.72 HTR1D (1.00) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL6487806 0.72 HTR1D (0.91) HTR1DHTR1BHTR2AMEN1MAPT

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-0736023-B1 INDOLE, INDOLINE AND QUINOLINE DERIVATIVES WITH 5HT 1D (ANTI-DEPRESSIVE) ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-07-08 EP claimed