SCHEMBL9405574

SCHEMBL9405574

CC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.75
SLC6A2 P23975 3/20 0.75
SLC6A4 P31645 2/20 0.75

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
SCHEMBL9405578 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL3424994 0.89 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL13752150 0.89 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL7282838 0.89 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL7282832 0.89 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL7289188 0.89 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL8695587 0.89 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL3424997 0.89 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL8940225 0.88 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4
SCHEMBL15630452 0.88 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4

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
US-5342949-A Decomposing vinyldiazomethnaes in presence of pyrroles to provide bicyclic ring, which is then reacted with aryl Grignard reagent in presence of copper salt WAKE FOREST UNIVERSITY (US) 1994-08-30 US disclosed
US-5262428-A Compounds for treatment of drug dependency WAKE FOREST UNIVERSITY (US) 1993-11-16 US disclosed