SCHEMBL4418733

SCHEMBL4418733

O=C(c1ccc2c(c1)nc(C1CC1)n2-c1ccccc1)[C@@H]1C(=O)c2cc(-c3nnn[nH]3)ccc2OC12CCNCC2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.36
HPGD P15428 1/20 0.33
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL4414233 0.82 HPGD (0.32) HPGD
SCHEMBL4427903 0.81 KHK (0.35)
SCHEMBL4417848 0.80 KHK (0.38)
SCHEMBL732520 0.79 HDAC3 (0.44) HPGD
SCHEMBL4411155 0.78 SCN9A (0.37)
SCHEMBL4270727 0.76 PIP5K1C (0.32)
SCHEMBL4267712 0.75 OPRD1 (0.32)
SCHEMBL4266728 0.75 OPRD1 (0.32)
SCHEMBL4275303 0.75 MAPT (0.30)
SCHEMBL4266808 0.75 OPRD1 (0.32)

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 4 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
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO disclosed