Sugi Predict

Sugi Predict / Compounds / SCHEMBL3466085

SCHEMBL3466085

SCHEMBL3466085

CC(C)NCC1(c2ccc(Cl)c(Cl)c2)CCCNC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 20/20 0.63
▸ SLC6A3 Q01959 18/20 0.63
▸ SLC6A2 P23975 12/20 0.63
▸ 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
SCHEMBL3466082 1.00 SLC6A4 (0.63) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466235 0.88 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466233 0.88 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466983 0.80 SLC6A4 (0.76) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL13345070 0.80 SLC6A4 (0.57) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL13345652 0.80 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3467709 0.80 SLC6A4 (0.80) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL13345110 0.80 SLC6A4 (0.71) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL13345104 0.80 SLC6A4 (0.71) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3467707 0.80 SLC6A4 (0.80) 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