SCHEMBL3969701

SCHEMBL3969701

O=C1O[C@]2(CCNC2)c2ccnc(C(=O)C3(c4ccc(OCc5ccc(F)cc5)cc4)CC3)c21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.36
NR4A2 P43354 1/20 0.34
MAOB P27338 6/20 0.34
MAOA P21397 2/20 0.34
PARP10 Q53GL7 1/20 0.34
PTPN1 P18031 1/20 0.34
MMP1 P03956 2/20 0.33
MMP13 P45452 2/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
PPARA Q07869 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
FFAR1 O14842 1/20 0.33
KCNH2 Q12809 1/20 0.32

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
SCHEMBL350865 0.92 ADAM17 (0.36) RORCMMP13MMP2
SCHEMBL3972419 0.91 NR4A2 (0.39) NR4A2MAOBMAOAPARP10MMP1
SCHEMBL3975332 0.91 MAOB (0.36) MAOBMAOARAB9AKCNH2
SCHEMBL3968068 0.84 CTSC (0.35) RORCKCNH2
SCHEMBL3907137 0.84 PDE2A (0.32) NPC1RAB9A
SCHEMBL3971304 0.83 ALOX5AP (0.42) FFAR1
SCHEMBL3970810 0.81 AKT1 (0.32)
SCHEMBL2973860 0.80 HSD11B1 (0.31)
SCHEMBL3972108 0.79 HSD11B1 (0.33)
SCHEMBL3977568 0.78 HSD11B1 (0.33) NPC1RAB9A

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