SCHEMBL8585591

SCHEMBL8585591

COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1C1=CCN(C)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.72
MAPT P10636 3/20 0.72
KMT2A Q03164 3/20 0.72
TDP1 Q9NUW8 3/20 0.72
HPGD P15428 2/20 0.72
GMNN O75496 1/20 0.72
LMNA P02545 1/20 0.72
RAD52 P43351 1/20 0.72
PMP22 Q01453 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
HTR1D P28221 14/20 0.70
HTR1B P28222 9/20 0.70
HTR2A P28223 8/20 0.70
SLC6A4 P31645 4/20 0.70
HTR2C P28335 2/20 0.70
TP53 P04637 2/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2D6 P10635 2/20 0.70
MAPK1 P28482 2/20 0.70

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
Gr-127935 SCHEMBL6017123 0.83 MEN1 (1.00) MEN1MAPTKMT2ATDP1HPGD
Gr-127935 SCHEMBL29657121 0.83 MEN1 (1.00) MEN1MAPTKMT2ATDP1HPGD
Gr-127935 SCHEMBL29462286 0.83 HTR1D (1.00) MEN1MAPTKMT2ATDP1HPGD
Gr-127935 SCHEMBL7795263 0.83 HTR1D (1.00) MEN1MAPTKMT2ATDP1HPGD
SCHEMBL8934350 0.81 HTR1D (0.64) MEN1MAPTKMT2ATDP1HPGD
SCHEMBL7161726 0.81 HTR1D (0.75) MEN1MAPTKMT2ATDP1HPGD
SCHEMBL6925638 0.80 HTR1D (0.70) MEN1MAPTKMT2ATDP1HPGD
SCHEMBL8794930 0.80 HTR1D (0.70) MEN1MAPTKMT2ATDP1HPGD
Oxalic Acid SCHEMBL6926422 0.79 HTR1D (0.72) MEN1MAPTKMT2ATDP1HPGD
SCHEMBL8934383 0.79 HTR1D (0.71) MEN1MAPTKMT2ATDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819126-A1 BIPHENYLAMIDE DERIVATIVES AS 5HT 1D? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-01-21 EP claimed
WO-1996031508-A1 BIPHENYLAMIDE DERIVATIVES AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-10-10 WO claimed
EP-0819126-A1 BIPHENYLAMIDE DERIVATIVES AS 5HT 1D? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-01-21 EP disclosed
WO-1996031508-A1 BIPHENYLAMIDE DERIVATIVES AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-10-10 WO disclosed