SCHEMBL17082168

SCHEMBL17082168

COC(=O)Nc1cnc(N2CCC[C@@]3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.34
OPRK1 P41145 6/20 0.33
OGA O60502 1/20 0.33
AADAT Q8N5Z0 2/20 0.33
PRKDC P78527 3/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CRBN Q96SW2 1/20 0.32
PLK1 P53350 1/20 0.31
HSD11B1 P28845 1/20 0.31
CSF1R P07333 1/20 0.30
MALT1 Q9UDY8 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
SCHEMBL17082142 1.00 DHODH (0.34) DHODHOPRK1OGAAADATPRKDC
SCHEMBL4570218 1.00 DHODH (0.34) DHODHOPRK1OGAAADATPRKDC
SCHEMBL4570146 1.00 DHODH (0.34) DHODHOPRK1OGAAADATPRKDC
SCHEMBL17082137 0.92 ALDH1A1 (0.36) DHODHOPRK1OGAAADATALDH1A1
SCHEMBL17082191 0.92 ALDH1A1 (0.36) DHODHOPRK1OGAAADATALDH1A1
SCHEMBL4570219 0.92 ALDH1A1 (0.36) DHODHOPRK1OGAAADATALDH1A1
SCHEMBL4570147 0.92 ALDH1A1 (0.36) DHODHOPRK1OGAAADATALDH1A1
SCHEMBL3694065 0.92 DHODH (0.38) DHODHOPRK1OGAAADATPRKDC
SCHEMBL3694070 0.92 DHODH (0.38) DHODHOPRK1OGAAADATPRKDC
SCHEMBL3700779 0.92 DHODH (0.38) DHODHOPRK1OGAAADATPRKDC

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-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed