SCHEMBL3972419

SCHEMBL3972419

O=C1O[C@]2(CCNC2)c2ccnc(C(=O)C3(c4ccc(OCc5cccc(F)c5)cc4)CC3)c21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.39
MAOB P27338 10/20 0.38
PARP10 Q53GL7 1/20 0.38
ALOX5 P09917 1/20 0.37
ALOX5AP P20292 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
MAOA P21397 4/20 0.36
GSK3B P49841 1/20 0.36
BACE1 P56817 1/20 0.36
KCNH2 Q12809 1/20 0.36
F10 P00742 1/20 0.36
CYP1A2 P05177 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL3969701 0.91 RORC (0.36) NR4A2MAOBPARP10OPRM1OPRD1
SCHEMBL350865 0.88 ADAM17 (0.36) MMP13
SCHEMBL3975332 0.86 MAOB (0.36) MAOBMAOAKCNH2
SCHEMBL3968068 0.83 CTSC (0.35) KCNH2
SCHEMBL3907137 0.82 PDE2A (0.32)
SCHEMBL3971304 0.81 ALOX5AP (0.42) ALOX5ALOX5AP
SCHEMBL3970810 0.80 AKT1 (0.32)
SCHEMBL2973860 0.78 HSD11B1 (0.31)
SCHEMBL3977568 0.77 HSD11B1 (0.33)
SCHEMBL3974626 0.76 HSD11B1 (0.33)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP disclosed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP disclosed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO disclosed