SCHEMBL14355754

SCHEMBL14355754

CN1CCN(c2cccc(Cl)c2C#N)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.73
ALDH1A1 P00352 2/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
DRD2 P14416 5/20 0.63
DRD3 P35462 5/20 0.63
GAA P10253 1/20 0.58
HTR1A P08908 1/20 0.49
DRD4 P21917 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
BCL2A1 Q16548 2/20 0.45
ADRA2C P18825 1/20 0.45
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL24399496 0.94 KDM4E (0.75) KDM4EALDH1A1L3MBTL1DRD2DRD3
SCHEMBL21486448 0.85 KDM4E (1.00) KDM4EALDH1A1L3MBTL1DRD2DRD3
SCHEMBL2781997 0.84 DRD2 (0.68) KDM4EALDH1A1L3MBTL1DRD2DRD3
SCHEMBL2781729 0.83 KDM4E (0.68) KDM4EALDH1A1L3MBTL1DRD2DRD3
SCHEMBL1869179 0.82 KDM4E (0.53) KDM4EALDH1A1L3MBTL1DRD2DRD3
SCHEMBL30839768 0.81 ALDH1A1 (0.73) KDM4EALDH1A1L3MBTL1DRD2DRD3
SCHEMBL25003289 0.81 ALDH1A1 (0.73) KDM4EALDH1A1L3MBTL1DRD2DRD3
SCHEMBL10934231 0.81 KDM4E (0.68) KDM4EALDH1A1L3MBTL1DRD2DRD3
SCHEMBL11613977 0.81 ADRA2C (0.62) KDM4EALDH1A1L3MBTL1DRD2DRD3
SCHEMBL2783736 0.81 KDM4E (0.59) KDM4EALDH1A1L3MBTL1DRD2DRD3

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
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed