SCHEMBL14094375

SCHEMBL14094375

CNC[C@@H](C)[C@H](c1cccc(F)c1)N1CC(C)Oc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.56
SLC6A4 P31645 20/20 0.56

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
SCHEMBL4413760 0.89 SLC6A2 (0.71) SLC6A2SLC6A4
SCHEMBL4418876 0.89 SLC6A2 (0.71) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4081498 0.88 SLC6A2 (0.72) SLC6A2SLC6A4
SCHEMBL4086325 0.81 SLC6A2 (0.55) SLC6A2SLC6A4
SCHEMBL4411247 0.76 SLC6A2 (0.68) SLC6A2SLC6A4
SCHEMBL4085262 0.76 SLC6A2 (0.68) SLC6A2SLC6A4
SCHEMBL4089991 0.76 SLC6A2 (0.68) SLC6A2SLC6A4
SCHEMBL4078538 0.76 SLC6A2 (0.68) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4080903 0.75 SLC6A2 (0.68) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4090025 0.75 SLC6A2 (0.68) SLC6A2SLC6A4

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-7414052-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2008-08-19 US disclosed
US-7414052-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2008-08-19 US disclosed