SCHEMBL4690064

SCHEMBL4690064

CCCN(Cc1ccccc1C(F)(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.53
SLC6A4 P31645 8/20 0.53
USP30 Q70CQ3 2/20 0.48
PGR P06401 5/20 0.47
CYP2D6 P10635 5/20 0.47
CYP2C9 P11712 5/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
HSD11B1 P28845 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
NR1D1 P20393 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL4497702 0.87 SLC6A2 (0.60) SLC6A2SLC6A4PGRCYP2D6CYP2C9
SCHEMBL5996937 0.86 SLC6A2 (0.57) SLC6A2SLC6A4GPR119MEN1KMT2A
SCHEMBL5996956 0.85 SLC6A2 (0.58) SLC6A2SLC6A4GPR119MEN1KMT2A
SCHEMBL5995606 0.83 SLC6A2 (0.51) SLC6A2SLC6A4JAK2JAK1GPR119
SCHEMBL4687364 0.83 PGR (0.43) SLC6A2SLC6A4USP30PGRCYP2D6
SCHEMBL5994302 0.82 SLC6A2 (0.56) SLC6A2SLC6A4PGRCYP2D6CYP2C9
SCHEMBL27661559 0.82 SLC6A2 (0.53) SLC6A2SLC6A4USP30PGRCYP2D6
SCHEMBL5670810 0.82 SLC6A2 (0.53) SLC6A2SLC6A4USP30PGRCYP2D6
SCHEMBL5993914 0.81 SLC6A2 (0.59) SLC6A2SLC6A4GPR119MEN1KMT2A
SCHEMBL5996568 0.80 SLC6A2 (0.55) SLC6A2SLC6A4USP30PGRCYP2D6

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
EP-1638934-B1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE LILLY CO ELI (US) 2008-01-09 EP disclosed