SCHEMBL4307158

SCHEMBL4307158

CCCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)nc(C)n1-c1cccc(C(C)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 13/20 0.40
APLNR P35414 2/20 0.35
TSHR P16473 1/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ACHE P22303 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL12348768 0.90 SLC33A1 (0.37) SLC33A1APLNR
SCHEMBL1890017 0.79 SLC33A1 (0.38) SLC33A1APLNRAGTR1ACHE
SCHEMBL1892295 0.79 SLC33A1 (0.39) SLC33A1APLNRAGTR1ACHE
SCHEMBL1892845 0.79 APLNR (0.40) APLNR
SCHEMBL1889496 0.77 APLNR (0.38) SLC33A1APLNR
SCHEMBL4013436 0.77 SLC33A1 (0.40) SLC33A1
SCHEMBL4011164 0.73 SLC33A1 (0.39) SLC33A1APLNR
SCHEMBL1893594 0.73 SLC33A1 (0.40) SLC33A1
SCHEMBL1887534 0.72 SLC33A1 (0.41) SLC33A1AGTR1ACHE
SCHEMBL12348764 0.71 SLC33A1 (0.38) SLC33A1AGTR1ACHE

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-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed