SCHEMBL877923

SCHEMBL877923

COC1C=C(C(=O)O)ON1[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccnc(C)c4)CC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.37
KLKB1 P03952 2/20 0.36
F2 P00734 1/20 0.36
PLAT P00750 1/20 0.36
POLB P06746 1/20 0.35
KDM4A O75164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
F11 P03951 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
DRD2 P14416 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
USP30 Q70CQ3 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
SCHEMBL877831 0.86 POLB (0.34) POLBKDM4AKDM4CTLR9TLR8
SCHEMBL876280 0.85 F10 (0.39) F10KLKB1F2PLATPOLB
SCHEMBL876281 0.79 F10 (0.37) F10KLKB1F2PLATPOLB
SCHEMBL877924 0.79 F10 (0.36) F10KLKB1F2PLATPOLB
SCHEMBL878300 0.76 CCR5 (0.35) F10POLBTLR9TLR8TLR7
SCHEMBL877844 0.75 F10 (0.37) F10KLKB1F2PLATPOLB
SCHEMBL877845 0.73 F10 (0.35) F10KLKB1F2PLATPOLB
SCHEMBL785347 0.72 WDR5 (0.40) F10KLKB1F2PLATUSP30
SCHEMBL784620 0.72 WDR5 (0.42) F10KLKB1F2PLATPOLB
SCHEMBL784119 0.72 F10 (0.39) F10KLKB1F2PLATPOLB

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 4 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
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed