SCHEMBL11264673

SCHEMBL11264673

Cc1ccccc1C1=CCN(CCCn2nc3ccccn3c2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HLA-A P04439 1/20 0.51
DRD2 P14416 11/20 0.49
HTR1A P08908 10/20 0.49
HTR2A P28223 10/20 0.49
SLC6A4 P31645 2/20 0.49
ADRA1A P35348 2/20 0.49
HRH1 P35367 2/20 0.49
KCNH2 Q12809 2/20 0.49
ABCB11 O95342 1/20 0.49
LMNA P02545 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP2D6 P10635 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49

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
SCHEMBL11267488 0.88 HTR1A (0.51) KDM4EALDH1A1HPGDHSD17B10HLA-A
SCHEMBL11267176 0.83 HTR1A (0.57) KDM4EALDH1A1HPGDHSD17B10HLA-A
SCHEMBL4865321 0.82 DRD2 (0.59) KDM4EDRD2HTR1AHTR2ALMNA
SCHEMBL4868327 0.80 DRD2 (0.62) KDM4EDRD2HTR1AHTR2ASLC6A4
SCHEMBL4868396 0.76 DRD2 (0.56) KDM4EHSD17B10DRD2HTR1AHTR2A
SCHEMBL11264675 0.74 DRD2 (0.39) KDM4EALDH1A1HPGDHSD17B10HLA-A
SCHEMBL10575601 0.73 HSD17B10 (0.46) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL269389 0.72 DRD2 (0.62) KDM4EALDH1A1HPGDHSD17B10HLA-A
SCHEMBL11275359 0.72 DRD2 (0.54) KDM4EALDH1A1HPGDHSD17B10HLA-A
SCHEMBL21562305 0.71 DRD2 (0.46) KDM4EALDH1A1HPGDHSD17B10HLA-A

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
US-4340597-A 1-Substituted-4-aryl-1,2,5,6-tetrahydro and hexahydropyridines SCHERING CORPORATION (US) 1982-07-20 US claimed
US-4340597-A 1-Substituted-4-aryl-1,2,5,6-tetrahydro and hexahydropyridines SCHERING CORPORATION (US) 1982-07-20 US disclosed