SCHEMBL6206396

SCHEMBL6206396

CC(C)CN(Cc1cc(Cl)ccc1Cl)C1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 1.00
SLC6A4 P31645 15/20 1.00
SLC6A3 Q01959 7/20 0.83
NOS1 P29475 4/20 0.76
NOS2 P35228 4/20 0.76

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
SCHEMBL5996670 0.91 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3NOS1NOS2
Fumaric Acid SCHEMBL5996536 0.90 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3NOS1NOS2
Fumaric Acid SCHEMBL5996532 0.90 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3NOS1NOS2
SCHEMBL5996571 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3NOS1NOS2
SCHEMBL5996287 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3NOS1NOS2
SCHEMBL4482541 0.84 SLC6A2 (0.86) SLC6A2SLC6A4SLC6A3NOS1NOS2
SCHEMBL5805973 0.84 SLC6A2 (0.86) SLC6A2SLC6A4SLC6A3NOS1NOS2
SCHEMBL5994994 0.82 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3NOS1NOS2
Fumaric Acid SCHEMBL5997504 0.82 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL5997512 0.82 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3

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