SCHEMBL4873038

SCHEMBL4873038

NCCCN1CCN(Cc2ccccc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.60
KCNH2 Q12809 6/20 0.60
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SIGMAR1 Q99720 2/20 0.49
DRD2 P14416 3/20 0.48
HPGD P15428 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
HDAC1 Q13547 1/20 0.43
MEN1 O00255 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL16416392 0.84 KMT2A (0.76) DRD3KCNH2KMT2APOLBCYP2D6
SCHEMBL29450073 0.84 KMT2A (0.76) DRD3KCNH2KMT2APOLBCYP2D6
SCHEMBL7454333 0.81 DRD3 (0.65) DRD3KCNH2KMT2APOLBCYP2D6
SCHEMBL16081233 0.81 SIGMAR1 (0.45) DRD3KCNH2KMT2APOLBSIGMAR1
SCHEMBL16081239 0.81 SIGMAR1 (0.45) DRD3KCNH2KMT2APOLBSIGMAR1
SCHEMBL9190064 0.80 KEAP1 (0.38) DRD3KCNH2CYP2D6SIGMAR1DRD2
SCHEMBL13987063 0.80 DRD3 (0.56) DRD3KCNH2KMT2APOLBCYP2D6
SCHEMBL17284643 0.79 DRD3 (0.54) DRD3KCNH2KMT2APOLBCYP2D6
SCHEMBL16081245 0.78 SIGMAR1 (0.43) DRD3KCNH2KMT2APOLBSIGMAR1
SCHEMBL16081243 0.78 SIGMAR1 (0.43) DRD3KCNH2KMT2APOLBSIGMAR1

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-7470703-B1 Yohimbine derivatives and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-12-30 US disclosed