SCHEMBL877632

SCHEMBL877632

CN(C(=O)c1ccc2c(c1)C(N1CC=CC(OC(=O)O)=C1C(F)(F)F)CC2)C1CCN(c2ccnc(C3CC3)n2)CC1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDM4A O75164 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
POLB P06746 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL878098 0.91 HRH4 (0.32) HRH4HRH3KDM4AKDM4CPOLB
SCHEMBL877667 0.90 ACACB (0.32) HRH4HRH3KDM4AKDM4CPOLB
SCHEMBL878581 0.86 TLR9 (0.33)
SCHEMBL877845 0.86 F10 (0.35) KDM4AKDM4CPOLB
SCHEMBL877739 0.85 KDM4A (0.31) KDM4AKDM4CPOLB
SCHEMBL877631 0.77 KDM4A (0.35) HRH4HRH3KDM4AKDM4CPOLB
SCHEMBL877422 0.77 F10 (0.34) POLB
SCHEMBL876177 0.76 F10 (0.33)
SCHEMBL785366 0.73 WDR5 (0.38)
SCHEMBL785126 0.71 POLB (0.37) POLBNPC1RAB9A

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