SCHEMBL1729217

SCHEMBL1729217

COc1ccc2nc(N3CCC(CCN(CC(N)=O)C(=O)O)CC3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
KMT2A Q03164 4/20 0.41
ACACB O00763 1/20 0.41
ACHE P22303 5/20 0.40
ENPP1 P22413 2/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
BCHE P06276 1/20 0.38
MCHR1 Q99705 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 3/20 0.37
CHRM4 P08173 1/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL1728923 0.89 HRH3 (0.49) HRH3ACACBACHEENPP1BCHE
SCHEMBL1729769 0.88 HRH3 (0.48) HRH3KMT2AACACBACHEENPP1
SCHEMBL1727774 0.88 HRH3 (0.48) HRH3KMT2AACACBACHEALDH1A1
SCHEMBL1729776 0.87 HRH3 (0.47) HRH3ACACBACHEALDH1A1BCHE
SCHEMBL1727924 0.86 HRH3 (0.48) HRH3ACACBMCHR1
SCHEMBL1727953 0.83 PDE10A (0.45) HRH3ALDH1A1KDM4EHSD17B10HTT
SCHEMBL1730416 0.82 HRH3 (0.47) HRH3ACACB
SCHEMBL1728948 0.82 ENPP1 (0.43) KMT2AACHEENPP1KDM4E
SCHEMBL1729968 0.80 HRH3 (0.58) HRH3KMT2AACACBACHEENPP1
SCHEMBL3265477 0.78 HRH3 (0.49) HRH3KMT2AACACBACHEENPP1

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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed