SCHEMBL3972826

SCHEMBL3972826

CCC(=O)N1CC=C(c2ccc(C3(C(=O)c4nccc5c4C(=O)OC54CCNC4)CC3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.36
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 2/20 0.32
KIT P10721 1/20 0.32
DGAT1 O75907 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
KHK P50053 1/20 0.31
JAK1 P23458 1/20 0.31
USP2 O75604 1/20 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
SCHEMBL3095009 0.90 NAMPT (0.39) NAMPTHSD11B1
SCHEMBL3970823 0.85 MAPT (0.36) NAMPTMAPK1KMT2AHSD11B1
SCHEMBL3977568 0.78 HSD11B1 (0.33) HSD11B1
SCHEMBL3101115 0.78 MAPT (0.40) MAPK1
SCHEMBL3970810 0.78 AKT1 (0.32) HSD11B1
SCHEMBL2973860 0.76 HSD11B1 (0.31) HSD11B1
SCHEMBL3970072 0.76 KDM4E (0.34) HSD11B1DGAT1JAK1
SCHEMBL3972108 0.75 HSD11B1 (0.33) MAPK1HSD11B1
SCHEMBL3972514 0.75 MGLL (0.33) MAPK1HSD11B1USP2
SCHEMBL2977992 0.74 PDK2 (0.38) HSD11B1

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 claimed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP claimed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO claimed