SCHEMBL4417848

SCHEMBL4417848

O=C(c1ccc2c(-c3ccccc3)nn(-c3ccccc3)c2c1)[C@@H]1C(=O)c2cc(-c3nnn[nH]3)ccc2OC12CCNCC2

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KHK P50053 8/20 0.38
DGAT2 Q96PD7 11/20 0.36

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
SCHEMBL4427903 0.88 KHK (0.35) KHK
SCHEMBL4411155 0.85 SCN9A (0.37)
SCHEMBL4414233 0.83 HPGD (0.32)
SCHEMBL4414075 0.81 KHK (0.32) KHK
SCHEMBL4418733 0.80 CRBN (0.36)
SCHEMBL4266728 0.78 OPRD1 (0.32)
SCHEMBL4267712 0.78 OPRD1 (0.32)
SCHEMBL733244 0.78 HDAC3 (0.46)
SCHEMBL4266808 0.78 OPRD1 (0.32)
SCHEMBL4413137 0.78 KDM4E (0.34)

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-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP claimed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO claimed