SCHEMBL7962939

SCHEMBL7962939

C=C(NCCOC)c1cccc(-c2cccc3cc(Cc4ccc(Cl)s4)sc23)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 8/20 0.58
S1PR4 O95977 10/20 0.37
S1PR5 Q9H228 10/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL3221007 0.90 GPR52 (0.71) GPR52S1PR4S1PR5TP53
SCHEMBL7957670 0.82 GPR52 (0.63) GPR52S1PR4S1PR5
SCHEMBL3204292 0.77 GPR52 (0.88) GPR52S1PR4S1PR5TP53
SCHEMBL13489581 0.76 GPR52 (0.81) GPR52TP53
SCHEMBL1852050 0.76 GPR52 (0.47) GPR52S1PR4S1PR5TP53
SCHEMBL1850137 0.75 GPR52 (0.69) GPR52S1PR4S1PR5TP53
SCHEMBL1850988 0.74 GPR52 (0.68) GPR52S1PR4S1PR5TP53
SCHEMBL3198777 0.74 GPR52 (1.00) GPR52TP53
SCHEMBL29452903 0.74 GPR52 (1.00) GPR52TP53
SCHEMBL3210255 0.74 GPR52 (0.76) GPR52TP53

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-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed