SCHEMBL6635246

SCHEMBL6635246

CCN(CC)CCOc1cccc(-c2c(NC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)n(CCCC#N)c3ncccc23)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.66
ACAT1 P24752 1/20 0.66
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PDE4A P27815 1/20 0.35
KCNH2 Q12809 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
SCHEMBL8328836 0.95 ACAT1 (0.66) SOAT1ACAT1ADORA2AADORA1PDE4A
SCHEMBL6636574 0.93 ACAT1 (0.75) SOAT1ACAT1ADORA2AADORA1PDE4A
SCHEMBL8326341 0.92 ACAT1 (0.74) SOAT1ACAT1ADORA2AADORA1PDE4A
SCHEMBL8328649 0.92 ACAT1 (0.67) SOAT1ACAT1ADORA2AADORA1
SCHEMBL8327437 0.92 ACAT1 (0.68) SOAT1ACAT1ADORA2AADORA1PDE4A
SCHEMBL6637153 0.92 SOAT1 (0.73) SOAT1ACAT1PDE4AKCNH2
SCHEMBL6635350 0.91 SOAT1 (0.68) SOAT1ACAT1ADORA2APDE4AKCNH2
SCHEMBL6637903 0.91 SOAT1 (0.76) SOAT1ACAT1PDE4AKCNH2
SCHEMBL6635117 0.91 ACAT1 (0.64) SOAT1ACAT1ADORA2AADORA1PDE4A
SCHEMBL6635566 0.90 ACAT1 (0.75) SOAT1ACAT1PDE4A

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-0842933-B1 NOVEL NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2004-08-04 EP disclosed
EP-0842933-A1 NOVEL NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-05-20 EP disclosed