SCHEMBL5507683

SCHEMBL5507683

CC(C)(C)OC(=O)N1CCC([AsH2])CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.58
▸ RECQL P46063 1/20 0.55
▸ EPHX1 P07099 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ GPR119 Q8TDV5 7/20 0.51
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ PTPN2 P17706 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ PTPN6 P29350 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL7450060 0.89 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL310117 0.84 GPR119 (0.67) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL696090 0.84 HPGD (0.62) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL2006303 0.82 HPGD (0.65) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL15644289 0.82 HPGD (0.60) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL13274147 0.82 GPR119 (0.65) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL16897017 0.82 HPGD (0.60) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL1965735 0.82 USP2 (0.61) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL47319 0.82 HPGD (0.60) HPGDRECQLEPHX1USP2SMN1; SMN2
Ethane SCHEMBL897978 0.82 HPGD (0.60) HPGDRECQLEPHX1USP2SMN1; SMN2

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-1814851-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-08 — — EP disclosed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 — — WO disclosed
WO-2004014850-A2 SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-02-19 — — WO disclosed
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