SCHEMBL9842835

SCHEMBL9842835

CC=CC(=O)N(c1ccccc1O)C1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.43
SLC6A4 P31645 18/20 0.43
SLC6A3 Q01959 8/20 0.43
KCNH2 Q12809 6/20 0.40
CYP2D6 P10635 1/20 0.39
CHEK2 O96017 1/20 0.37

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
SCHEMBL9428924 0.80 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL9428581 0.79 CHEK2 (0.38) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL9429947 0.76 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL9429122 0.74 TRPM8 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL9429217 0.74 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL8377826 0.72 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL9428421 0.71 RAB9A (0.39) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL8379418 0.71 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL9429926 0.71 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL14678427 0.70 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 EP disclosed