SCHEMBL7340946

SCHEMBL7340946

COc1c(C(=O)O)c2c(CC3CCN(CCN(C(=O)OCc4ccccc4)S(C)(=O)=O)CC3)cccc2n1C.COc1c(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.47
CYP2C9 P11712 2/20 0.47
PMP22 Q01453 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 5/20 0.36
AGTR1 P30556 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
TMEM97 Q5BJF2 2/20 0.33

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
SCHEMBL7325668 0.90 OPRM1 (0.37) HTR4KMT2AMEN1AGTR1
SCHEMBL9704184 0.87 HTR4 (0.44) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL7323669 0.83 HTR4 (0.39) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL7302809 0.82 HTR4 (0.48) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL7301885 0.81 HTR4 (0.67) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL7322685 0.80 CYP2C9 (0.51) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL16504002 0.73 CYP2C9 (0.66) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL7324773 0.71 HTR4 (0.69) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL4294891 0.70 HTR4 (0.55) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL7300816 0.69 HTR4 (0.54) HTR4CYP2C9PMP22NPSR1CYP1A2

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
EP-0501322-B1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LTD (GB) 1996-09-04 EP disclosed