SCHEMBL4749429

SCHEMBL4749429

FC(F)(F)c1ccccc1CNC1CCNC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.60
SLC6A4 P31645 17/20 0.60
SLC6A3 Q01959 5/20 0.60
CYP2D6 P10635 1/20 0.49
KCNH2 Q12809 1/20 0.49
HTR2C P28335 1/20 0.44
MRGPRX1 Q96LB2 1/20 0.44

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
SCHEMBL4488371 1.00 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5668614 0.92 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL6066292 0.87 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR2CMRGPRX1
SCHEMBL5560421 0.85 MRGPRX1 (0.51) SLC6A2SLC6A4MRGPRX1
SCHEMBL8647230 0.82 SSTR4 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL8650134 0.82 SSTR4 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL950740 0.82 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL950739 0.82 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL8647231 0.82 SSTR4 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5968212 0.82 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2

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