SCHEMBL6864360

SCHEMBL6864360

COCCNC(=O)c1cnn(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 13/20 1.00
CCR1 P32246 4/20 0.50
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPT P10636 1/20 0.49
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46

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
SCHEMBL13505642 0.87 GPR52 (1.00) GPR52
SCHEMBL13506787 0.86 GPR52 (0.75) GPR52CCR1NPSR1KDM4E
SCHEMBL13506290 0.85 GPR52 (0.73) GPR52CCR1KDM4EMAPT
SCHEMBL6865577 0.84 GPR52 (1.00) GPR52
SCHEMBL13505580 0.83 GPR52 (1.00) GPR52
SCHEMBL6864474 0.83 GPR52 (0.87) GPR52
SCHEMBL6864857 0.83 GPR52 (0.87) GPR52
SCHEMBL6864118 0.81 GPR52 (0.84) GPR52
SCHEMBL6866106 0.80 GPR52 (0.70) GPR52
SCHEMBL3198843 0.80 GPR52 (0.74) GPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518054-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-10-31 EP disclosed
WO-2011078360-A1 AMIDE COMPOUND 武田薬品工業株式会社 (JP) 2011-06-30 WO disclosed