SCHEMBL2977992

SCHEMBL2977992

CC(C)OC(=O)N1CCN(c2ccc(C3(C(=O)c4nccc5c4C(=O)O[C@]54CCNC4)CC3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
WNT3A P56704 1/20 0.33
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
AKT1 P31749 2/20 0.31
HSD11B1 P28845 2/20 0.31
GPR119 Q8TDV5 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3101115 0.90 MAPT (0.40) PDK2OPRD1LMNAMAPTKDM4E
SCHEMBL3970823 0.87 MAPT (0.36) PDK2LMNAMAPTHSD11B1KDM4E
SCHEMBL3977568 0.86 HSD11B1 (0.33) MAPTHSD11B1
SCHEMBL3972514 0.82 MGLL (0.33) HSD11B1
SCHEMBL3970810 0.79 AKT1 (0.32) AKT1HSD11B1
SCHEMBL3972108 0.78 HSD11B1 (0.33) HSD11B1KDM4E
SCHEMBL3907137 0.78 PDE2A (0.32)
SCHEMBL3095009 0.78 NAMPT (0.39) HSD11B1
SCHEMBL2973860 0.77 HSD11B1 (0.31) HSD11B1
SCHEMBL3970072 0.77 KDM4E (0.34) HSD11B1KDM4E

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
US-7776874-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2010-08-17 US disclosed