SCHEMBL17082148

SCHEMBL17082148

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
LIMK1 P53667 1/20 0.32
OGA O60502 1/20 0.32
TSHR P16473 1/20 0.32
FSHR P23945 1/20 0.32
HSD11B1 P28845 2/20 0.31
DHODH Q02127 2/20 0.31

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
SCHEMBL4570221 1.00 ROCK2 (0.32) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL10112699 0.94 ROCK2 (0.35) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL17082191 0.91 ALDH1A1 (0.36) OGATSHRFSHRHSD11B1DHODH
SCHEMBL17082137 0.91 ALDH1A1 (0.36) OGATSHRFSHRHSD11B1DHODH
SCHEMBL4570219 0.91 ALDH1A1 (0.36) OGATSHRFSHRHSD11B1DHODH
SCHEMBL4570147 0.91 ALDH1A1 (0.36) OGATSHRFSHRHSD11B1DHODH
SCHEMBL17082119 0.91 HCRTR2 (0.33) TSHRFSHRHSD11B1
SCHEMBL17082115 0.91 HCRTR2 (0.33) TSHRFSHRHSD11B1
SCHEMBL4570217 0.91 HCRTR2 (0.33) TSHRFSHRHSD11B1
SCHEMBL4570186 0.91 HCRTR2 (0.33) TSHRFSHRHSD11B1

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