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SCHEMBL12018307

SCHEMBL12018307

CN(Cl)CC(c1ccc2ccccc2c1)C(OCCCCCCCOC(c1ccccc1)C(CN(C)Cl)c1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 20/20 0.65
▸ SLC6A4 P31645 20/20 0.65
▸ SLC6A3 Q01959 20/20 0.65
▸ KCNH2 Q12809 15/20 0.65
▸ CYP2D6 P10635 15/20 0.65
▸ CYP3A4 P08684 11/20 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
SCHEMBL1902151 0.82 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3743814 0.82 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL12005427 0.82 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3743819 0.82 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3723151 0.81 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3666106 0.81 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3727574 0.81 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3666394 0.81 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL17455199 0.79 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1903211 0.73 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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-20120220665-A1 Inhibiting Neurotransmitter Reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2012-08-30 — — US disclosed