SCHEMBL7305693

SCHEMBL7305693

CNS(=O)(=O)CCN1CCC(COC(=O)c2cn(C)c3ccccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2C9 P11712 1/20 0.73
ALOX15 P16050 1/20 0.73
NFKB1 P19838 1/20 0.73
PMP22 Q01453 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
NR4A2 P43354 1/20 0.47
RAB9A P51151 1/20 0.42

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 0.85 HTR4 (0.73) HTR4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL1502039 0.85 HTR4 (1.00) HTR4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL29397805 0.85 HTR4 (1.00) HTR4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL7294699 0.84 HTR4 (0.76) HTR4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL7293994 0.83 HTR4 (0.89) HTR4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL9341467 0.83 HTR4 (0.71) HTR4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL7300517 0.83 HTR4 (0.71) HTR4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL7300604 0.82 HTR4 (0.69) HTR4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL7300971 0.82 HTR4 (0.81) HTR4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL7301147 0.82 HTR4 (0.69) HTR4CYP1A2CYP2C9ALOX15NFKB1

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