SCHEMBL5043322

SCHEMBL5043322

N#Cc1cccc(S(N)(=O)=O)c1.NC(=O)c1ccc2c(c1)CCC(NS(=O)(=O)c1ccccc1)N2Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
P4HB P07237 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATIC P31939 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTNR1A P48039 1/20 0.36
KAT6A Q92794 1/20 0.35
OPRK1 P41145 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL650943 0.89 MEN1 (0.43) MEN1KMT2APKMSMN1; SMN2MTNR1A
SCHEMBL5043320 0.82 FNTA (0.54) THRBP4HBHRH2HRH1FNTA
SCHEMBL649321 0.82 MEN1 (0.44) MEN1KMT2APKMSMN1; SMN2MTNR1A
SCHEMBL650942 0.68 FNTA (0.49) FNTAFNTBMEN1KMT2APKM
SCHEMBL653554 0.63 FNTA (0.71) THRBFNTAFNTBMTNR1A
SCHEMBL791765 0.63 CA2 (0.67) P4HB
SCHEMBL648852 0.63 FNTA (0.71) THRBFNTAFNTBMTNR1A
SCHEMBL648851 0.63 FNTA (0.71) THRBFNTAFNTBMTNR1A
SCHEMBL650207 0.63 FNTA (0.61) THRBHRH2HRH1FNTAFNTB
SCHEMBL5651206 0.62 FNTA (0.49) THRBFNTAFNTBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644335-A4 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2008-06-04 EP claimed
EP-1644335-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-04-12 EP claimed
WO-2005007628-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-27 WO claimed