SCHEMBL13734320

SCHEMBL13734320

c1ccc(C[C@@]2(COc3ccccc3)CNCCO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.38
SLC6A4 P31645 11/20 0.38
SLC6A3 Q01959 11/20 0.38
CYP2D6 P10635 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL5113738 0.80 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL9528556 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL476346 0.79 TDP1 (0.38) SLC6A2SLC6A3
SCHEMBL1774399 0.76 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL9368899 0.74 BCHE (0.35)
SCHEMBL27695148 0.74 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6
Bromide SCHEMBL9784507 0.72 MMP9 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL28498257 0.71 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL27739954 0.71 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1961851 0.70 SLC6A2 (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699568-A1 A CRYSTALLINE FORM OF A SALT OF A MORPHOLINO SULFONYL INDOLE DERIVATIVE AND A PROCESS FOR ITS PREPARATION Piramal Enterprises Limited (IN) 2014-02-26 EP disclosed
WO-2012143874-A1 A PROCESS FOR THE PREPARATION OF MORPHOLINO SULFONYL INDOLE DERIVATIVES PIRAMAL HEALTHCARE LIMITED (IN) 2012-10-26 WO disclosed
WO-2012143879-A1 A CRYSTALLINE FORM OF A SALT OF A MORPHOLINO SULFONYL INDOLE DERIVATIVE AND A PROCESS FOR ITS PREPARATION PIRAMAL HEALTHCARE LIMITED (IN) 2012-10-26 WO disclosed