SCHEMBL6184943

SCHEMBL6184943

CC(C)CN(Cc1cc(Cl)cc(Cl)c1)C1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.66
SLC6A4 P31645 17/20 0.66
SLC6A3 Q01959 10/20 0.64
NOS1 P29475 1/20 0.59
NOS2 P35228 1/20 0.59

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
SCHEMBL4495794 0.92 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3NOS1NOS2
Fumaric Acid SCHEMBL5997020 0.89 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL5997015 0.89 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3
SCHEMBL5993744 0.87 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3NOS1NOS2
SCHEMBL5994994 0.86 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3NOS1NOS2
SCHEMBL5995526 0.84 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
Cadaverine Tartrate SCHEMBL4486465 0.83 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3NOS1NOS2
SCHEMBL5995104 0.83 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL5997705 0.82 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3NOS1NOS2
SCHEMBL5995299 0.82 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569905-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-09-07 EP disclosed
WO-2004052858-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed