SCHEMBL876281

SCHEMBL876281

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](N3OC(C)C=C3OC(=O)O)CC4)CC2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.37
F2 P00734 1/20 0.37
PLAT P00750 1/20 0.37
KLKB1 P03952 1/20 0.37
POLB P06746 1/20 0.33
DRD2 P14416 1/20 0.33
KDM4A O75164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
USP30 Q70CQ3 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL878301 0.91 CCR5 (0.35) F10POLBDRD2ADORA2AADORA1
SCHEMBL877924 0.86 F10 (0.36) F10F2PLATKLKB1POLB
SCHEMBL876280 0.80 F10 (0.39) F10F2PLATKLKB1POLB
SCHEMBL877923 0.79 F10 (0.37) F10F2PLATKLKB1POLB
SCHEMBL877845 0.78 F10 (0.35) F10F2PLATKLKB1POLB
SCHEMBL877844 0.74 F10 (0.37) F10F2PLATKLKB1POLB
SCHEMBL877832 0.74 POLB (0.32) POLBDRD2KDM4AKDM4C
SCHEMBL15589877 0.74 OPRD1 (0.34) POLBDRD2KDM4AKDM4CADORA2A
SCHEMBL784620 0.73 WDR5 (0.42) F10F2PLATKLKB1POLB
SCHEMBL784119 0.73 F10 (0.39) F10F2PLATKLKB1POLB

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