SCHEMBL1666992

SCHEMBL1666992

COC(=O)C1CCCCC1CNC(=O)c1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
HPGD P15428 7/20 0.46
KDM4E B2RXH2 7/20 0.46
RCE1 Q9Y256 1/20 0.46
USP2 O75604 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 1/20 0.43
HSD17B10 Q99714 3/20 0.42
CFTR P13569 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR4 Q13639 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39

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
SCHEMBL15535647 0.81 DRD2 (0.47) ALDH1A1HPGDKDM4ERCE1DRD2
SCHEMBL15534816 0.81 P2RX7 (0.47) DRD2HTR3EHTR3BHTR3AHTR4
SCHEMBL22447716 0.81 DRD2 (0.44) HPGDKDM4EDRD2HTR3EHTR3B
SCHEMBL1668136 0.81 HPGD (0.50) ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL15534876 0.79 DRD2 (0.38) ALDH1A1HPGDKDM4ESLC6A2SLC6A4
SCHEMBL1668907 0.78 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ERCE1USP2
SCHEMBL12798265 0.78 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ERCE1USP2
SCHEMBL1666506 0.78 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ERCE1USP2
SCHEMBL11893819 0.78 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ERCE1USP2
SCHEMBL1666286 0.77 SLC6A2 (0.40) ALDH1A1HPGDKDM4ESLC6A2SLC6A4

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-2485728-A1 WNT PATHWAY ANTAGONISTS Siena Biotech S.p.a. (IT) 2012-08-15 EP disclosed
WO-2011042145-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2011-04-14 WO disclosed