SCHEMBL877844

SCHEMBL877844

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](N3C=CC=C(C(=O)O)C3C(F)(F)F)CC4)CC2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.37
KLKB1 P03952 2/20 0.36
F2 P00734 1/20 0.36
PLAT P00750 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
POLB P06746 1/20 0.33
PDK2 Q15119 3/20 0.32
USP30 Q70CQ3 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
GHSR Q92847 1/20 0.31
F11 P03951 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
SCHEMBL878097 0.85 KDM4A (0.35) KDM4AKDM4CPOLBPDK2
SCHEMBL877631 0.85 KDM4A (0.35) KDM4AKDM4CPOLBPDK2
SCHEMBL877666 0.84 KDM4A (0.34) KDM4AKDM4CPOLBPDK2
SCHEMBL878580 0.84 ALDH1A1 (0.34) KDM4AKDM4CPDK2USP30TLR9
SCHEMBL877421 0.79 CCR5 (0.36) F10KDM4AKDM4CPOLB
SCHEMBL876176 0.77 F10 (0.32) F10F2PDK2
SCHEMBL785422 0.76 F10 (0.40) F10KLKB1F2PLATPOLB
SCHEMBL876280 0.76 F10 (0.39) F10KLKB1F2PLATKDM4A
SCHEMBL877845 0.76 F10 (0.35) F10KLKB1F2PLATKDM4A
SCHEMBL877923 0.75 F10 (0.37) F10KLKB1F2PLATKDM4A

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