SCHEMBL4771158

SCHEMBL4771158

[CH2][C@@H](C(=O)N1CCCC1)C1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
CHRM3 P20309 3/20 0.41
DPP4 P27487 4/20 0.39
DPP7 Q9UHL4 4/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL3 Q96JM7 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.34
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNA1C Q13936 1/20 0.33

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
SCHEMBL4764708 0.81 DPP4 (0.38) DPP4DPP7L3MBTL3L3MBTL1
SCHEMBL4767040 0.73 TP53 (0.46) TP53MEN1KMT2A
SCHEMBL13064069 0.72 DPP4 (0.55) DPP4DPP7
SCHEMBL5520698 0.71 ALDH1A1 (0.52) TP53ALDH1A1MEN1KMT2A
SCHEMBL3958979 0.71 ALDH1A1 (0.52) TP53ALDH1A1MEN1KMT2A
SCHEMBL3955574 0.70 ALDH1A1 (0.55) TP53DPP4DPP7ALDH1A1MEN1
SCHEMBL3951101 0.70 ALDH1A1 (0.55) TP53DPP4DPP7ALDH1A1MEN1
SCHEMBL9019588 0.68 HPGD (0.42) DPP4DPP7HTTHPGDALDH1A1
SCHEMBL27551034 0.68 NCF1 (0.36) GNAI3GNAO1GNAI1
SCHEMBL18212461 0.67 DPP4 (0.49) TP53CHRM3DPP4DPP7HTT

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 5 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 claimed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP claimed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP claimed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO claimed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO claimed