SCHEMBL3101355

SCHEMBL3101355

CN(C)c1ccc(NC(=O)Nc2ccnc3c(F)ccc(F)c23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 1.00
HCRTR2 O43614 3/20 1.00
HTR2B P41595 3/20 0.57
HTR2C P28335 2/20 0.57
MAPT P10636 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
DRD2 P14416 1/20 0.52
DRD1 P21728 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
GSK3A P49840 1/20 0.52

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
SCHEMBL38660785 1.00 HCRTR1 (1.00) HCRTR1HCRTR2HTR2BHTR2CMAPT
Hydrochloric Acid SCHEMBL7655748 0.82 HCRTR1 (0.70) HCRTR1HCRTR2HTR2BHTR2CMAPT
SCHEMBL7101667 0.77 HTR2C (0.72) HCRTR1HCRTR2HTR2BHTR2CMAPT
Hydrochloric Acid SCHEMBL5964738 0.76 HTR2C (0.70) HCRTR1HCRTR2HTR2BHTR2CMAPT
Hydrochloric Acid SCHEMBL7654789 0.74 HTR2B (0.71) HCRTR1HCRTR2HTR2BHTR2CMAPT
SCHEMBL7659058 0.74 HTR2B (0.64) HCRTR1HCRTR2HTR2BHTR2CMAPT
SCHEMBL29663991 0.73 RAB9A (0.76) HTR2BHTR2CMAPTMEN1KMT2A
SCHEMBL7656800 0.73 HTR2B (0.66) HCRTR1HCRTR2HTR2BHTR2CMAPT
Hydrochloric Acid SCHEMBL7658449 0.73 HTR2B (0.66) HCRTR1HCRTR2HTR2BHTR2CMAPT
Hydrochloric Acid SCHEMBL7663226 0.73 HTR2B (0.69) HCRTR1HCRTR2HTR2BHTR2CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8568997-B2 Detection system and uses therefor DIMERIX BIOSCIENCE PTY LTD. (AU) 2013-10-29 US disclosed
EP-2605015-A1 Kits for determining the interaction of a test compound with two associated receptors Dimerix Bioscience Pty.Ltd. (AU) 2013-06-19 EP disclosed
EP-2080012-B1 Methods for assaying test compounds on associated receptors DIMERIX BIOSCIENCE PTY LTD (AU) 2013-03-20 EP disclosed
US-20130065253-A1 DETECTION SYSTEM AND USES THEREFOR DIMERIX BIOSCIENCE PTY LTD. (AU) 2013-03-14 US disclosed
US-8283127-B2 Detection system and uses therefor DIMERIX BIOSCIENCE PTY LTD. (AU) 2012-10-09 US disclosed
US-20100234417-A1 THYROTROPIN RELEASING HORMONE RECEPTOR-OREXIN RECEPTOR HETERO-DIMERS/-OLIGOMERS DIMERIX BIOSCIENCE PTY LTD. (AU) 2010-09-16 US disclosed
WO-2010031114-A1 NOVEL RECEPTOR HETERO-DIMERS/-OLIGOMERS DIMERIX BIOSCIENCE PTY LTD (AU) 2010-03-25 WO disclosed
US-20100021457-A1 DETECTION SYSTEM AND USES THEREFOR DIMERIX BIOSCIENCE PTY LTD. (AU) 2010-01-28 US disclosed
EP-2080012-A1 DETECTION SYSTEM AND USES THEREFOR Dimerix Bioscience Pty.Ltd. (AU) 2009-07-22 EP disclosed
EP-2078037-A1 THYROTROPIN RELEASING HORMONE RECEPTOR-OREXIN RECEPTOR HETERO-DIMERS/-OLIGOMERS Dimerix Bioscience Pty.Ltd. (AU) 2009-07-15 EP disclosed
WO-2008055314-A1 THYROTROPIN RELEASING HORMONE RECEPTOR-OREXIN RECEPTOR HETERO-DIMERS/-OLIGOMERS DIMERIX BIOSCIENCE PTY LTD (AU) 2008-05-15 WO disclosed
WO-2008055313-A1 DETECTION SYSTEM AND USES THEREFOR DIMERIX BIOSCIENCE PTY LTD (AU) 2008-05-15 WO disclosed