SCHEMBL5762010

SCHEMBL5762010

CCCN(Cc1cccc(Cl)c1)[C@H]1CCNC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.58
SLC6A4 P31645 11/20 0.58
SLC6A3 Q01959 9/20 0.58
NOS2 P35228 2/20 0.52
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
TACR1 P25103 3/20 0.47
MBTPS1 Q14703 2/20 0.46
CYP2D6 P10635 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
SCHEMBL4491890 0.87 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3NOS2NOS3
SCHEMBL5761184 0.84 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3NOS2NOS3
SCHEMBL26387507 0.84 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5763178 0.84 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3NOS2NOS3
SCHEMBL5760877 0.83 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL5763699 0.83 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL4498361 0.80 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3NOS2NOS3
SCHEMBL4481412 0.80 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3NOS2NOS3
SCHEMBL4484165 0.80 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3NOS2NOS3
Cadaverine Tartrate SCHEMBL4483380 0.78 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3NOS2NOS3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638934-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 EP claimed
WO-2005000811-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 WO claimed
EP-1638934-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000811-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 WO disclosed