SCHEMBL7947953

SCHEMBL7947953

CC(C)n1cc(Cc2cc3c(s2)=C(c2cccc(C(=O)NCCO)c2)CCC=3)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 6/20 0.40
FYN P06241 9/20 0.37
PDE7A Q13946 1/20 0.36
PARP1 P09874 2/20 0.35
PRKD1 Q15139 1/20 0.34
LIMK1 P53667 1/20 0.33

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
SCHEMBL3198471 0.79 GPR52 (0.62) GPR52FYNPDE7A
SCHEMBL13489559 0.67 GPR52 (0.65) GPR52FYNPDE7A
SCHEMBL3218822 0.63 GPR52 (0.67) GPR52
SCHEMBL3215801 0.62 GPR52 (0.45) GPR52
SCHEMBL3207002 0.60 GPR52 (0.60) GPR52FYNLIMK1
SCHEMBL3207357 0.59 GPR52 (0.62) GPR52FYNPDE7A
SCHEMBL3207171 0.59 GPR52 (0.68) GPR52FYN
SCHEMBL3319225 0.58 SMN1; SMN2 (0.65)
SCHEMBL3206759 0.58 GPR52 (0.63) GPR52FYNLIMK1
SCHEMBL12001125 0.58 ACACB (0.59)

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