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Sugi Predict / Compounds / SCHEMBL3466262

SCHEMBL3466262

SCHEMBL3466262

CN(C)CC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 20/20 0.70
▸ SLC6A3 Q01959 18/20 0.70
▸ SLC6A2 P23975 12/20 0.70
▸ CYP2D6 P10635 1/20 0.65

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
SCHEMBL3466265 1.00 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL14775504 0.93 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466103 0.86 SLC6A4 (0.65) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466106 0.86 SLC6A4 (0.65) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466120 0.86 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466125 0.86 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466983 0.85 SLC6A4 (0.76) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL11104526 0.85 SLC6A4 (0.72) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL5311554 0.84 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2
SCHEMBL5089570 0.84 SLC6A4 (0.73) SLC6A4SLC6A3SLC6A2

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