SCHEMBL1856933

SCHEMBL1856933

CC(CI)Oc1ccc(Cc2cc3cccc(-c4cccc(C(=O)NCCO)c4)c3s2)cn1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 14/20 0.57
FYN P06241 5/20 0.38
LIMK1 P53667 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
SCHEMBL3207002 0.92 GPR52 (0.60) GPR52FYNLIMK1
SCHEMBL3206759 0.88 GPR52 (0.63) GPR52FYNLIMK1
SCHEMBL3213482 0.84 GPR52 (0.69) GPR52
SCHEMBL1855236 0.80 GPR52 (0.45) GPR52
SCHEMBL3198471 0.78 GPR52 (0.62) GPR52FYN
SCHEMBL1848252 0.77 GPR52 (0.44) GPR52
SCHEMBL3207171 0.75 GPR52 (0.68) GPR52FYN
SCHEMBL1848534 0.75 GPR52 (0.49) GPR52
SCHEMBL13489559 0.75 GPR52 (0.65) GPR52FYN
SCHEMBL1854846 0.75 GPR52 (0.44) 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-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed