SCHEMBL6213707

SCHEMBL6213707

CC(C)(C)OC(=O)N1CCCC1COc1cccc2cc[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2RL3 Q96RI0 4/20 0.48
▸ ALOX5AP P20292 3/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ BCHE P06276 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GPR119 Q8TDV5 2/20 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
SCHEMBL6213699 1.00 F2RL3 (0.48) F2RL3ALOX5APFEN1EPHX2BCHE
SCHEMBL2539185 0.83 F2RL3 (0.50) F2RL3ALOX5APFEN1
SCHEMBL7997720 0.83 F2RL3 (0.50) F2RL3ALOX5APFEN1
SCHEMBL2200755 0.80 CHRNB4 (0.58) F2RL3ALOX5APFEN1
SCHEMBL3113607 0.79 DPP4 (0.52) F2RL3ALOX5APFEN1
SCHEMBL29007980 0.79 DPP4 (0.48) F2RL3ALOX5APFEN1
SCHEMBL2200803 0.79 ALOX5AP (0.50) F2RL3ALOX5APFEN1
SCHEMBL5139432 0.78 GPR119 (0.47) F2RL3ALOX5APFEN1GPR119
SCHEMBL6289529 0.78 F2RL3 (0.49) F2RL3ALOX5APFEN1EPHX2GPR119
SCHEMBL4343050 0.77 ALOX5AP (0.46) F2RL3ALOX5APFEN1EPHX2GPR119

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-1569638-A1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 — — EP disclosed
WO-2004050085-A1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 — — WO disclosed
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