SCHEMBL8325381

SCHEMBL8325381

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

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.62
SOAT1 P35610 1/20 0.61
RIPK2 O43353 1/20 0.42
ACVR1 Q04771 1/20 0.42
NOD2 Q9HC29 1/20 0.42
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PDE4A P27815 1/20 0.38
KCNH2 Q12809 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
SCHEMBL8331189 0.93 ACAT1 (0.65) ACAT1SOAT1
SCHEMBL8327437 0.93 ACAT1 (0.68) ACAT1SOAT1RIPK2ACVR1NOD2
SCHEMBL8328649 0.92 ACAT1 (0.67) ACAT1SOAT1ADORA2AADORA1
SCHEMBL8325642 0.91 ACAT1 (0.61) ACAT1SOAT1ADORA2AADORA1PDE4A
SCHEMBL6636574 0.91 ACAT1 (0.75) ACAT1SOAT1ADORA2AADORA1PDE4A
SCHEMBL8326341 0.91 ACAT1 (0.74) ACAT1SOAT1RIPK2ACVR1NOD2
SCHEMBL6634606 0.91 ACAT1 (0.60) ACAT1SOAT1RIPK2ACVR1NOD2
SCHEMBL6634432 0.90 ACAT1 (0.61) ACAT1SOAT1ADORA2AADORA1PDE4A
SCHEMBL6636746 0.90 ACAT1 (0.60) ACAT1SOAT1ADORA2AADORA1PDE4A
SCHEMBL6636791 0.90 ACAT1 (0.60) ACAT1SOAT1ADORA2AADORA1PDE4A

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