SCHEMBL877845

SCHEMBL877845

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](N3CC=CC(OC(=O)O)=C3C(F)(F)F)CC4)CC2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.35
F2 P00734 1/20 0.35
PLAT P00750 1/20 0.35
KLKB1 P03952 1/20 0.35
KDM4A O75164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
POLB P06746 1/20 0.31
PDK2 Q15119 2/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
AOC3 Q16853 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
SCHEMBL877739 0.92 KDM4A (0.31) KDM4AKDM4CPOLB
SCHEMBL878098 0.86 HRH4 (0.32) KDM4AKDM4CPOLB
SCHEMBL877632 0.86 HRH4 (0.31) KDM4AKDM4CPOLB
SCHEMBL877667 0.85 ACACB (0.32) KDM4AKDM4CPOLBPDK2
SCHEMBL878581 0.85 TLR9 (0.33) PDK2TLR9TLR8TLR7
SCHEMBL877422 0.81 F10 (0.34) F10POLB
SCHEMBL876177 0.79 F10 (0.33) F10F2
SCHEMBL876281 0.78 F10 (0.37) F10F2PLATKLKB1KDM4A
SCHEMBL877844 0.76 F10 (0.37) F10F2PLATKLKB1KDM4A
SCHEMBL785422 0.74 F10 (0.40) 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 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