SCHEMBL4764809

SCHEMBL4764809

CC(C)(C)OC(=O)NCCC1CCN(c2ncccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.56
SIRT2 Q8IXJ6 2/20 0.55
SIRT1 Q96EB6 2/20 0.55
SIRT3 Q9NTG7 2/20 0.55
CHRM4 P08173 3/20 0.51
KDM4E B2RXH2 5/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
CYP2C19 P33261 1/20 0.45
SUV39H2 Q9H5I1 2/20 0.45
NSD2 O96028 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
DRD2 P14416 1/20 0.42

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
SCHEMBL4417334 0.86 GPR119 (0.59) GPR119SIRT2SIRT1SIRT3CHRM4
SCHEMBL31420782 0.84 CKS1B (0.55) GPR119KDM4EHPGDCKS1BSKP1
SCHEMBL4420158 0.83 GPR119 (0.54) GPR119SIRT2SIRT1SIRT3CHRM4
SCHEMBL805498 0.82 SIRT2 (0.52) SIRT2SIRT1SIRT3CHRM4CKS1B
SCHEMBL4703208 0.81 CHRM4 (0.56) GPR119SIRT2SIRT1SIRT3CHRM4
SCHEMBL13934842 0.81 DKK1 (0.67) SIRT2SIRT1SIRT3CHRM4CKS1B
SCHEMBL4954279 0.80 GPR119 (0.61) GPR119KDM4ECKS1BSKP1SKP2
SCHEMBL15383665 0.80 KDM4E (0.61) GPR119KDM4EALDH1A1GAATSHR
SCHEMBL23107653 0.78 SIRT2 (0.53) SIRT2SIRT1SIRT3CKS1BSKP1
SCHEMBL572043 0.78 SIGMAR1 (0.59) GPR119KDM4EALDH1A1CYP2C19DRD2

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-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP disclosed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP disclosed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO disclosed