SCHEMBL19112558

SCHEMBL19112558

CC(C)CCN1CCC(CC(=O)NC(c2cccc(F)c2)c2cccc(F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.56
SLC6A3 Q01959 3/20 0.56
CCR5 P51681 6/20 0.51
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
SLC6A2 P23975 2/20 0.41

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
SCHEMBL4271445 0.81 SLC6A4 (0.53) SLC6A4SLC6A3CCR5SLC6A9SLC6A5
SCHEMBL19112523 0.80 SLC6A4 (0.52) SLC6A4SLC6A3CCR5SLC6A9SLC6A5
SCHEMBL19112598 0.79 SLC6A4 (0.51) SLC6A4SLC6A3CCR5SLC6A9SLC6A5
SCHEMBL4284264 0.78 SLC6A4 (0.48) SLC6A4SLC6A3CCR5SLC6A9SLC6A5
SCHEMBL4272761 0.77 SLC6A4 (0.49) SLC6A4SLC6A3CCR5SLC6A9SLC6A5
SCHEMBL19113877 0.77 SLC6A4 (0.47) SLC6A4SLC6A3CCR5SLC6A9SLC6A5
SCHEMBL4280885 0.77 SLC6A4 (0.48) SLC6A4SLC6A3CCR5SLC6A9SLC6A5
SCHEMBL19113057 0.77 SLC6A4 (0.48) SLC6A4SLC6A3CCR5SLC6A9SLC6A5
SCHEMBL4273319 0.77 SLC6A4 (0.48) SLC6A4SLC6A3CCR5SLC6A9SLC6A5
SCHEMBL4280527 0.76 SLC6A4 (0.48) SLC6A4SLC6A3CCR5SLC6A9SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189839-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Taro Pharmaceuticals Inc. (CA) 2017-07-12 EP disclosed