SCHEMBL461993

SCHEMBL461993

CC(C)c1noc(C(Oc2ccc(Br)cn2)C2CCNCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.37
SLC6A2 P23975 15/20 0.37
SLC6A3 Q01959 6/20 0.36
CYP2D6 P10635 2/20 0.35
KDM1A O60341 1/20 0.34
EP300 Q09472 1/20 0.34
KCNH2 Q12809 1/20 0.34
GABRA5 P31644 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL457488 0.80 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL459381 0.78 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL456972 0.72 GPR119 (0.53)
SCHEMBL458214 0.71 PLAT (0.34) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL1679711 0.70 GPR119 (0.57) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL634422 0.68 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL634421 0.68 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL634424 0.68 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL635037 0.68 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL635036 0.68 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3CYP2D6

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed