SCHEMBL11238795

SCHEMBL11238795

CN(C)C1(CN)CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36

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
SCHEMBL2843814 0.82
SCHEMBL3578074 0.81 SLC6A4 (0.37) SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL34474173 0.79 OPRM1 (0.31)
Hydrochloric Acid SCHEMBL3924692 0.79 SLC6A4 (0.36) SLC6A4SLC6A3
SCHEMBL1866074 0.76 LATS1 (0.31)
SCHEMBL12861373 0.75 KMT2A (0.35) SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL16210258 0.74 HTR2A (0.32)
SCHEMBL2836174 0.72 LMNA (0.37) SLC6A4SLC6A3
SCHEMBL5022562 0.72
SCHEMBL3572742 0.72 OPRM1 (0.51) SLC6A4SLC6A3

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-4346101-A NON-SEDATING THE UPJOHN COMPANY (US) 1982-08-24 US disclosed