SCHEMBL877832

SCHEMBL877832

COC1=CC(OC(=O)O)ON1[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccnc(N(C)C)n4)CC3)cc21

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
OPRD1 P41143 2/20 0.32
KCNH2 Q12809 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
DRD2 P14416 1/20 0.32
ACACB O00763 1/20 0.31
AXL P30530 1/20 0.31
MCHR1 Q99705 1/20 0.30
KDM4A O75164 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 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
SCHEMBL15589877 0.90 OPRD1 (0.34) POLBOPRD1KCNH2EGLN1DRD2
SCHEMBL877924 0.87 F10 (0.36) POLBEGLN1DRD2KDM4AKDM4C
SCHEMBL877831 0.79 POLB (0.34) POLBOPRD1KCNH2DRD2ACACB
SCHEMBL876281 0.74 F10 (0.37) POLBDRD2KDM4AKDM4C
SCHEMBL878301 0.74 CCR5 (0.35) POLBDRD2MCHR1JAK2JAK1
SCHEMBL784917 0.73 WDR5 (0.39) EGLN1ACACBJAK2JAK1
SCHEMBL785318 0.72 POLB (0.40) POLBOPRD1DRD2ACACB
SCHEMBL785043 0.70 POLB (0.40) POLBDRD2ACACBMCHR1
SCHEMBL784916 0.70 ACACB (0.35) POLBDRD2ACACBJAK2JAK1
SCHEMBL27920407 0.70 CA12 (0.40) POLBKCNH2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP claimed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO claimed