SCHEMBL8326294

SCHEMBL8326294

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1c(-c2cccc(C#CCO)c2)c2cccnc2n(CCCO)c1=O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.62
SOAT1 P35610 1/20 0.60
CNR2 P34972 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
TRPC5 Q9UL62 1/20 0.35

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
SCHEMBL8326315 0.95 ACAT1 (0.65) ACAT1SOAT1CNR2
SCHEMBL8328468 0.93 ACAT1 (0.56) ACAT1SOAT1
SCHEMBL8325033 0.92 ACAT1 (0.55) ACAT1SOAT1RXFP1
SCHEMBL8327589 0.92 ACAT1 (0.55) ACAT1SOAT1RXFP1
SCHEMBL8328822 0.92 ACAT1 (0.58) ACAT1SOAT1RXFP1
SCHEMBL8328681 0.91 ACAT1 (0.60) ACAT1SOAT1CNR2RXFP1
SCHEMBL8326788 0.91 ACAT1 (0.57) ACAT1SOAT1CNR2
SCHEMBL8330947 0.90 ACAT1 (0.53) ACAT1SOAT1RXFP1
SCHEMBL8326104 0.88 ACAT1 (0.62) ACAT1SOAT1
SCHEMBL8326398 0.88 ACAT1 (0.62) ACAT1SOAT1CNR2

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
EP-0947515-A1 NOVEL NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-10-06 EP disclosed