SCHEMBL6864201

SCHEMBL6864201

O=C(NCCO)c1sc(-c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)nc1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 18/20 0.68
PTGER4 P35408 1/20 0.41
LMNA P02545 1/20 0.38

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
SCHEMBL6864264 0.91 GPR52 (0.67) GPR52
SCHEMBL13505964 0.87 GPR52 (0.53) GPR52PTGER4LMNA
SCHEMBL3196264 0.84 GPR52 (0.73) GPR52PTGER4LMNA
SCHEMBL13505755 0.83 GPR52 (0.49) GPR52LMNA
SCHEMBL7961131 0.82 GPR52 (0.80) GPR52PTGER4
SCHEMBL3210140 0.82 GPR52 (0.80) GPR52PTGER4
SCHEMBL6864277 0.81 GPR52 (0.53) GPR52PTGER4
SCHEMBL3207056 0.81 GPR52 (1.00) GPR52PTGER4
SCHEMBL13506153 0.80 SMN1; SMN2 (0.54) GPR52PTGER4
SCHEMBL6864575 0.79 GPR52 (0.52) GPR52PTGER4

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