SCHEMBL4724692

SCHEMBL4724692

CC(CNC(=O)OC(C)(C)C)N1CCN(c2nccc(N)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.43
OGA O60502 1/20 0.42
PCSK9 Q8NBP7 1/20 0.40
PTPN11 Q06124 2/20 0.38
DRD2 P14416 5/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
CHRNA7 P36544 1/20 0.37
PANK3 Q9H999 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4722765 0.86 GPR119 (0.46) ACHEPCSK9DRD2UTS2RMAPT
SCHEMBL4765791 0.82 UTS2R (0.41) OGAPCSK9DRD2UTS2R
SCHEMBL4505689 0.80 ACHE (0.43) ACHECHRNA7
SCHEMBL23593462 0.77 ACHE (0.40) ACHEPTPN11DRD2DDB1CRBN
SCHEMBL23578977 0.76 ALOX5AP (0.40) ACHEDDB1CRBN
SCHEMBL4766157 0.76 HRH3 (0.45) OGAPCSK9DRD2UTS2R
SCHEMBL19015403 0.76 ACHE (0.61) ACHEPTPN11DDB1CRBNCHRNA7
SCHEMBL25063568 0.75 DRD2 (0.40) ACHEDRD2DDB1CRBN
SCHEMBL22455152 0.75 NCF1 (0.51) DRD2UTS2RMAPT
SCHEMBL29357542 0.75 NCF1 (0.51) DRD2UTS2RMAPT

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-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed