SCHEMBL14723487

SCHEMBL14723487

CC(C)(C)OC(=O)N1CCC(=Cc2ccc(S(=O)(=O)C3CCOCC3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.45
RECQL P46063 1/20 0.44
NAMPT P43490 1/20 0.44
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
STS P08842 4/20 0.41
TGFBR1 P36897 1/20 0.40
PIK3CA P42336 2/20 0.40
AKT1 P31749 1/20 0.40
MTOR P42345 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
SCHEMBL14720779 0.82 DDIT3 (0.34) NAMPTSMN1; SMN2PIK3CAAKT1MTOR
SCHEMBL14720896 0.75 GRM5 (0.46) GPR119RECQLUSP2SMN1; SMN2
SCHEMBL1870570 0.75 NR1H2 (0.54) GPR119USP2SMN1; SMN2
SCHEMBL4635083 0.75 GRM5 (0.46) GPR119USP2SMN1; SMN2
SCHEMBL5497099 0.75 MEN1 (0.55) USP2SMN1; SMN2STS
SCHEMBL14720486 0.75 NAMPT (0.38) NAMPTSMN1; SMN2
SCHEMBL1473227 0.75 GPR119 (0.51) GPR119STS
SCHEMBL23546383 0.74 GPR119 (0.60) GPR119NAMPTSTS
SCHEMBL4768567 0.74 GPR119 (0.68) GPR119NAMPT
SCHEMBL20304919 0.74 SRD5A2 (0.55) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed