SCHEMBL457488

SCHEMBL457488

Cc1nc(Br)ccc1OC(c1nc(C(C)C)no1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.42
SLC6A2 P23975 14/20 0.42
SLC6A3 Q01959 7/20 0.39
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL461993 0.80 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL459381 0.74 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL458214 0.71 PLAT (0.34) SLC6A4SLC6A2SLC6A3
SCHEMBL2675998 0.71 SLC6A2 (0.78) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL461809 0.68 GPR119 (0.54) KCNH2
SCHEMBL11894304 0.67 GRM5 (0.36) SLC6A4SLC6A2
SCHEMBL1679711 0.67 GPR119 (0.57) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL14634499 0.63 IKBKB (0.43) SLC6A4SLC6A2SLC6A3
SCHEMBL14634498 0.63 IKBKB (0.43) SLC6A4SLC6A2SLC6A3
SCHEMBL29005564 0.62 HTR2C (0.45) SLC6A4SLC6A2

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