SCHEMBL4456475

SCHEMBL4456475

CN1Cc2ccccc2C(C2(O)CCOCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 18/20 0.46
▸ SLC6A4 P31645 18/20 0.46
▸ SLC6A3 Q01959 17/20 0.46
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL4461630 0.87 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3SMN1; SMN2LMNA
SCHEMBL4323108 0.86 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3SMN1; SMN2LMNA
SCHEMBL4458919 0.86 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3SMN1; SMN2LMNA
SCHEMBL4457874 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL4460770 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL4333706 0.82 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL4317478 0.80 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL4322615 0.80 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL4459508 0.80 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL4328800 0.76 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6

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
WO-2009118765-A2 NOVEL MONOAMINE RE-UPTAKE INHIBITOR PANACEA BIOTEC LIMITED (GB) 2009-10-01 — — WO disclosed
Send feedback