SCHEMBL4687364

SCHEMBL4687364

CC(C)(C)OC(=O)N1CC[C@H](N(Cc2ccccc2C(F)(F)F)CC2CCOC2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.43
CYP2D6 P10635 6/20 0.43
CYP2C9 P11712 6/20 0.43
USP30 Q70CQ3 2/20 0.43
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
NR1D1 P20393 1/20 0.41
HSD11B1 P28845 1/20 0.40
P2RX7 Q99572 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A3 Q01959 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL5112323 0.95 SLC6A2 (0.41) PGRCYP2D6CYP2C9USP30SLC6A2
SCHEMBL4479507 0.87 SLC6A2 (0.48) PGRCYP2D6CYP2C9SLC6A2SLC6A4
SCHEMBL5994302 0.84 SLC6A2 (0.56) PGRCYP2D6CYP2C9SLC6A2SLC6A4
SCHEMBL4690064 0.83 SLC6A2 (0.53) PGRCYP2D6CYP2C9USP30SLC6A2
SCHEMBL5440605 0.82 SLC6A2 (0.47) CYP2D6SLC6A2SLC6A4MEN1KMT2A
SCHEMBL5996937 0.79 SLC6A2 (0.57) SLC6A2SLC6A4MEN1KMT2ASLC6A3
SCHEMBL5995606 0.78 SLC6A2 (0.51) SLC6A2SLC6A4JAK2JAK1MEN1
SCHEMBL5670810 0.77 SLC6A2 (0.53) PGRCYP2D6CYP2C9USP30SLC6A2
SCHEMBL27661559 0.77 SLC6A2 (0.53) PGRCYP2D6CYP2C9USP30SLC6A2
SCHEMBL5993914 0.76 SLC6A2 (0.59) SLC6A2SLC6A4MEN1KMT2ASLC6A3

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