SCHEMBL10491776

SCHEMBL10491776

O=C1CCCC[C@H]1[C@@H](C[N+](=O)[O-])c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 8/20 0.43
▸ SLC6A2 P23975 4/20 0.43
▸ SLC6A4 P31645 4/20 0.43
▸ CA1 P00915 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10491773 1.00 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4CA1KDM4E
SCHEMBL10491666 0.86 MAPT (0.49) SLC6A3SLC6A2SLC6A4CA1KDM4E
SCHEMBL27165041 0.86 MAPT (0.49) SLC6A3SLC6A2SLC6A4CA1KDM4E
SCHEMBL27165109 0.86 MAPT (0.49) SLC6A3SLC6A2SLC6A4CA1KDM4E
SCHEMBL10491694 0.86 MAPT (0.49) SLC6A3SLC6A2SLC6A4CA1KDM4E
SCHEMBL10491674 0.86 MAPT (0.49) SLC6A3SLC6A2SLC6A4CA1KDM4E
SCHEMBL27165108 0.86 MAPT (0.49) SLC6A3SLC6A2SLC6A4CA1KDM4E
SCHEMBL10491678 0.85 MAPT (0.48) SLC6A3SLC6A2SLC6A4CA1KDM4E
SCHEMBL10491685 0.85 MAPT (0.48) SLC6A3SLC6A2SLC6A4CA1KDM4E
SCHEMBL27165037 0.84 MAPT (0.46) SLC6A3SLC6A2SLC6A4CA1KDM4E

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
US-4820734-A ANALGESICS,ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1989-04-11 — — US disclosed
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