SCHEMBL7300604

SCHEMBL7300604

CN1CCC(COC(=O)c2cn(C)c3ccccc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.69
NPSR1 Q6W5P4 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C9 P11712 2/20 0.69
ALOX15 P16050 2/20 0.69
NFKB1 P19838 1/20 0.69
PMP22 Q01453 1/20 0.69
NR4A2 P43354 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 1/20 0.48
MITF O75030 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CHRM2 P08172 2/20 0.47
ADRA2A P08913 2/20 0.47
CHRM1 P11229 2/20 0.47

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
SCHEMBL7300751 0.89 HTR4 (0.73) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL7294320 0.87 HTR4 (0.62) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL9341467 0.87 HTR4 (0.71) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL7300517 0.87 HTR4 (0.71) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL9344429 0.86 HTR4 (0.67) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL7301147 0.86 HTR4 (0.69) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL7293786 0.85 HTR4 (0.68) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL7294699 0.84 HTR4 (0.76) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL7305693 0.82 HTR4 (0.73) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL1502039 0.82 HTR4 (1.00) HTR4NPSR1CYP1A2CYP2C9ALOX15

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 3 patents. 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
WO-1992014727-A1 3-PIPERIDINYLMETHYLCARBOXYLATE SUBSTITUTED INDOLES GLAXO GROUP LIMITED (GB) 1992-09-03 WO disclosed
EP-0501322-A1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LIMITED (GB) 1992-09-02 EP disclosed