SCHEMBL4070945

SCHEMBL4070945

CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(Br)cc2O)C1.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.51
PDE4B Q07343 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
FPR2 P25090 5/20 0.44
GPR119 Q8TDV5 3/20 0.42
HPGDS O60760 1/20 0.42
SCN9A Q15858 1/20 0.42
FPR3 P25089 1/20 0.41
TRPV3 Q8NET8 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40

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
SCHEMBL4070949 1.00 USP30 (0.51) USP30PDE4BKDM4EMAPTTHRB
SCHEMBL1019288 0.99 USP30 (0.52) USP30PDE4BKDM4EMAPTTHRB
SCHEMBL1013442 0.99 USP30 (0.52) USP30PDE4BKDM4EMAPTTHRB
SCHEMBL1013443 0.99 USP30 (0.52) USP30PDE4BKDM4EMAPTTHRB
SCHEMBL4070951 0.98 USP30 (0.51) USP30PDE4BKDM4EMAPTTHRB
SCHEMBL1015479 0.87 USP30 (0.49) USP30PDE4BKDM4EMAPTTHRB
SCHEMBL2473362 0.87 PDE4B (0.50) USP30PDE4BKDM4EMAPTTHRB
SCHEMBL12954779 0.85 USP30 (0.48) USP30PDE4BKDM4EMAPTTHRB
SCHEMBL1018705 0.85 PDE4B (0.57) USP30PDE4BKDM4EMAPTTHRB
SCHEMBL1015417 0.85 PDE4B (0.57) USP30PDE4BKDM4EMAPTTHRB

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-2081890-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-29 EP disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed