SCHEMBL6187439

SCHEMBL6187439

CC(C)(C#N)CN(Cc1ccc(F)cc1C(F)(F)F)C1CCN(C(C)(C)C)CC1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.74
SLC6A2 P23975 19/20 0.74
SLC6A3 Q01959 2/20 0.47

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
SCHEMBL5994692 0.85 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL5997831 0.83 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3
Cadaverine Tartrate SCHEMBL5997422 0.78 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL6205537 0.76 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL6185267 0.72 P2RX7 (0.47) SLC6A4SLC6A2SLC6A3
SCHEMBL5995164 0.71 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3
SCHEMBL5997164 0.70 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3
SCHEMBL5994154 0.68 SLC6A4 (0.62) SLC6A4SLC6A2
SCHEMBL5997010 0.68 SLC6A4 (0.75) SLC6A4SLC6A2SLC6A3
SCHEMBL4501153 0.67 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3

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