SCHEMBL7101667

SCHEMBL7101667

CN(C)c1ccc(NC(=O)Nc2ccnc3cccnc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.72
HTR2B P41595 5/20 0.72
HCRTR1 O43613 5/20 0.62
HCRTR2 O43614 4/20 0.62
MAPT P10636 9/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
TP53 P04637 4/20 0.58
MAPK1 P28482 4/20 0.58
ADORA2A P29274 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
HDAC6 Q9UBN7 1/20 0.58
NOX1 Q9Y5S8 5/20 0.50
RAB9A P51151 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
GAA P10253 2/20 0.50

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
Hydrochloric Acid SCHEMBL5964738 0.99 HTR2C (0.70) HTR2CHTR2BHCRTR1HCRTR2MAPT
SCHEMBL7147484 0.84 HTR2C (0.61) HTR2CHTR2BHCRTR1HCRTR2MAPT
Hydrochloric Acid SCHEMBL5964363 0.84 HTR2C (0.51) HTR2CHTR2BHCRTR1HCRTR2MAPT
SCHEMBL7457165 0.84 HTR2C (1.00) HTR2CHTR2BHCRTR1HCRTR2MAPT
SCHEMBL5816607 0.83 MAPT (0.57) HTR2CHTR2BHCRTR1HCRTR2MAPT
SCHEMBL7095507 0.82 HTR2C (0.72) HTR2CHTR2BHCRTR1HCRTR2MAPT
Hydrochloric Acid SCHEMBL7661483 0.82 HTR2C (0.97) HTR2CHTR2BHCRTR1HCRTR2MAPT
Hydrochloric Acid SCHEMBL5964523 0.81 HTR2C (0.70) HTR2CHTR2BHCRTR1HCRTR2MAPT
SCHEMBL5810916 0.80 HTR2B (0.58) HTR2CHTR2BHCRTR1HCRTR2MAPT
SCHEMBL5658555 0.78 NPC1 (0.78) HTR2CHTR2BMAPTMEN1KMT2A

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-1075478-B1 PHENYLUREA AND PHENYLTHIO UREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed
US-6372757-B1 OREXIN RECEPTORS FOR SLEEP DISORDERS AND EATING DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-16 US disclosed