SCHEMBL4075349

SCHEMBL4075349

O=C(OC1CC1)N1CCNCC1c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
HRH3 Q9Y5N1 3/20 0.39
GCK P35557 1/20 0.37
GRIN2B Q13224 1/20 0.36
RBP4 P02753 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
RIPK1 Q13546 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
BTK Q06187 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
NOS2 P35228 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
SCHEMBL27868891 0.82 GPR119 (0.45) HSD11B1RIPK1PRMT5WDR77
SCHEMBL29773951 0.82 GPR119 (0.45) HSD11B1RIPK1PRMT5WDR77
SCHEMBL28938508 0.82 HSD11B1 (0.40) HSD11B1RIPK1SIGMAR1
SCHEMBL1434923 0.82 HTR2C (0.40) HSD11B1RIPK1SIGMAR1PRMT5WDR77
SCHEMBL16796971 0.82 RIPK1 (0.40) HSD11B1RIPK1SIGMAR1BTK
SCHEMBL4078027 0.81 DPP4 (0.43) RIPK1
SCHEMBL5321655 0.81 RIPK1 (0.40) RIPK1SIGMAR1BTK
SCHEMBL8499875 0.81 RIPK1 (0.40) RIPK1SIGMAR1PRMT5WDR77
SCHEMBL29091782 0.78 RIPK1 (0.39) HSD11B1RIPK1SIGMAR1PRMT5WDR77
SCHEMBL5229321 0.76 GPR119 (0.43) HSD11B1RIPK1PRMT5WDR77

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