SCHEMBL20052783

SCHEMBL20052783

CN1CCOC(c2ccccc2)[C@H](c2ccc3ccccc3c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 1.00
SLC6A2 P23975 9/20 1.00
SLC6A3 Q01959 9/20 1.00
CYP2D6 P10635 7/20 1.00
KCNH2 Q12809 4/20 1.00
CYP3A4 P08684 2/20 0.76
HTR1A P08908 1/20 0.46
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL17455375 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL17455164 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL20052823 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL17455219 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL20052836 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL14739005 0.86 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL14738478 0.86 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL14739330 0.86 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL3669138 0.86 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL14738411 0.86 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2

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-9944618-B2 Inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-04-17 US disclosed