Sugi Predict

Sugi Predict / Compounds / SCHEMBL9500936

SCHEMBL9500936

SCHEMBL9500936

CN(C)C(CC(Oc1ccc(S(C)(=O)=O)cc1)c1ccccc1)OC(=O)C(=O)OC(CC(Oc1ccc(S(C)(=O)=O)cc1)c1ccccc1)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 18/20 0.57
▸ DAGLA Q9Y4D2 1/20 0.39

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
SCHEMBL11350917 0.83 ALDH1A1 (0.45) SLC6A9
SCHEMBL7318201 0.81 SLC6A9 (0.60) SLC6A9
Oxalic Acid SCHEMBL9500931 0.76 SLC6A9 (0.72) SLC6A9
SCHEMBL11233689 0.75 SLC6A9 (0.71) SLC6A9
SCHEMBL9499114 0.74 SLC6A9 (0.39) SLC6A9DAGLA
SCHEMBL3530 0.73 POLB (0.44) —
SCHEMBL9824502 0.72 NOS2 (0.43) SLC6A9
SCHEMBL4740321 0.71 SLC6A9 (0.57) SLC6A9
SCHEMBL9471918 0.71 SLC6A9 (0.52) SLC6A9DAGLA
SCHEMBL4740090 0.71 UTS2R (0.42) SLC6A9

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
US-5238959-A For inhibiting serotonin uptake, antidepressant, suppression of alcoholism and obesity ELI LILLY AND COMPANY (US) 1993-08-24 — — US disclosed
EP-0336753-B1 IMPROVEMENTS IN OR RELATING TO PROPANAMINE DERIVATIVES ELI LILLY AND COMPANY (US) 1992-07-08 — — EP disclosed