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SCHEMBL3465604

SCHEMBL3465604

CN(C)C(=O)CC1(c2ccc(Cl)c(Cl)c2)CCCNC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 19/20 0.62
▸ SLC6A3 Q01959 17/20 0.62
▸ SLC6A2 P23975 16/20 0.62
▸ CYP2D6 P10635 1/20 0.58

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
SCHEMBL3465601 1.00 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL13345107 0.85 SLC6A4 (0.57) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466204 0.84 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466206 0.84 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3465460 0.83 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466060 0.83 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466063 0.83 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3465457 0.83 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3467718 0.83 SLC6A4 (0.59) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3467723 0.83 SLC6A4 (0.59) SLC6A4SLC6A3SLC6A2CYP2D6

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
WO-2010071575-A1 QUATERNARY PIPERIDINE DERIVATIVES AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 — — WO claimed
WO-2010071575-A1 QUATERNARY PIPERIDINE DERIVATIVES AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 — — WO disclosed