SCHEMBL8590752

SCHEMBL8590752

NCC(Cc1cccnc1)NCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
CYP2D6 P10635 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKT1 P31749 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CHRNA7 P36544 1/20 0.41
NAMPT P43490 1/20 0.40
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL8588407 0.89 LTA4H (0.47) CYP2D6CYP3A4CYP1A2ALDH1A1NPSR1
SCHEMBL8589515 0.88 CYP2D6 (0.46) CYP2D6KMT2ACYP3A4SLC6A2SLC6A4
SCHEMBL8591111 0.86 GAA (0.47) CYP2D6CYP3A4CYP1A2ALDH1A1NPSR1
SCHEMBL8587669 0.86 CYP2D6 (0.53) CYP2D6KMT2ACYP3A4SLC6A2SLC6A4
SCHEMBL8590761 0.83 MEN1 (0.50) CYP2D6KMT2ACYP3A4SLC6A2SLC6A4
SCHEMBL8587396 0.83 FFAR2 (0.45) CYP2D6CYP3A4CYP1A2ALDH1A1NPSR1
SCHEMBL8589194 0.83 GAA (0.48) KMT2ACYP3A4ALDH1A1NPSR1KDM4E
SCHEMBL8585890 0.83 DPP7 (0.53) CYP2D6SLC6A4CYP1A2AKT1DPP7
SCHEMBL8588727 0.82 SLC6A4 (0.48) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL8586519 0.82 LMNA (0.47) CYP2D6KMT2ACYP3A4SLC6A2SLC6A4

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
WO-1998052890-A1 3-ARYLPROPYLAMINO NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-11-26 WO disclosed