SCHEMBL7878033

SCHEMBL7878033

COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C(=O)NC4CCN(C)C4)cc3C)cc2)cc1C1CCN(C)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.44
PDE4D Q08499 1/20 0.44
GHSR Q92847 2/20 0.43
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
TMPRSS2 O15393 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR6 P50406 3/20 0.40
USP30 Q70CQ3 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
MAPK14 Q16539 2/20 0.39
BRD4 O60885 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL7887009 0.88 HTR1D (0.53) HTR1DMAPTTMPRSS2SLC6A4USP30
SCHEMBL7887288 0.87 HTR1D (0.60) HTR1DGHSRMAPTTMPRSS2SLC6A4
SCHEMBL7886696 0.86 MAPK14 (0.43) HTR1DPDE4DGHSRMAPTTMPRSS2
SCHEMBL7885324 0.86 HTR1D (0.42) HTR1DPDE4DGHSRTMPRSS2SLC6A4
SCHEMBL7885332 0.83 HTR1D (0.62) HTR1DGHSRMAPTTMPRSS2SLC6A4
SCHEMBL7877945 0.80 HTR1D (0.51) HTR1DPDE4DGHSRMAPTSLC6A4
SCHEMBL7886690 0.80 HTR1D (0.56) HTR1DMAPTTMPRSS2SLC6A4HTR2A
SCHEMBL7887345 0.79 HTR1D (0.70) HTR1DPDE4DGHSRMAPTSLC6A4
SCHEMBL7887044 0.76 HTR6 (0.61) HTR1DPDE4DGHSRMAPTALOX12
SCHEMBL7884344 0.76 HTR6 (0.48) HTR1DPDE4DGHSRMAPTHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098892-A1 BIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2001-05-16 EP disclosed
WO-2000005225-A1 BIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-03 WO disclosed