SCHEMBL4260447

SCHEMBL4260447

CC(C)(C)OC(=O)N1CCOc2ccc3[nH]cc(CCl)c3c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.38
HTR2C P28335 5/20 0.38
HTR2B P41595 5/20 0.38
HTR1A P08908 4/20 0.38
HTR1D P28221 3/20 0.38
HTR6 P50406 2/20 0.38
HTR4 Q13639 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR1B P28222 1/20 0.38
HTR7 P34969 1/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.35
PIK3CD O00329 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
ESR2 Q92731 1/20 0.34
SCD5 Q86SK9 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL1997743 0.77 CREBBP (0.43) USP2SMN1; SMN2MAPK1ESR2NR1H2
SCHEMBL4260445 0.73 PIK3CD (0.39) HTR2AHTR2CHTR1AHTR1DUSP2
Indole SCHEMBL4414195 0.72 C5AR1 (0.43) USP2SMN1; SMN2MAPK1PRMT5WDR77
SCHEMBL19667310 0.71 USP2 (0.44) USP2SMN1; SMN2MAPK1GPR119ESR2
SCHEMBL2001858 0.70 CREBBP (0.35) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL17813928 0.70 USP2 (0.43) USP2SMN1; SMN2MAPK1GPR119ESR2
SCHEMBL3276399 0.70 UCHL1 (0.44) USP2SMN1; SMN2MAPK1GPR119ESR2
SCHEMBL17813927 0.70 NR1H2 (0.44) USP2SMN1; SMN2MAPK1PIK3CDGPR119
SCHEMBL22744298 0.69 POLB (0.43) USP2SMN1; SMN2MAPK1GPR119NR1H2
SCHEMBL1998581 0.69 OPRK1 (0.34) USP2SMN1; SMN2GPR119USP30

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-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 WO disclosed