SCHEMBL12840934

SCHEMBL12840934

CC(=O)NC(C(=O)NCC1=CCC(OCc2cccc(F)c2)C=C1)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.36
PIN1 Q13526 1/20 0.35
P2RX7 Q99572 2/20 0.35
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
STAT1 P42224 1/20 0.33
RAB9A P51151 1/20 0.33
CTSA P10619 1/20 0.33
GRM5 P41594 1/20 0.33
GRIN2B Q13224 1/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL993033 0.80 MAOB (0.50) ACACBSCN9AGRM5MAOBMAOA
SCHEMBL8837185 0.72 CA12 (0.50) SCN9AKDM4E
SCHEMBL9369401 0.64 CA12 (0.42) ACACBSCN9AKDM4ERAB9A
SCHEMBL993973 0.64 MAOB (0.52) ACACBSCN9AGRM5MAOBMAOA
SCHEMBL12840830 0.64 CA12 (0.37) SCN9A
SCHEMBL1710436 0.60 CCR2 (0.48) SCN9AGAARAB9A
SCHEMBL994999 0.60 MAOB (0.65) SCN9AGRM5MAOBMAOA
SCHEMBL993070 0.60 MAOB (0.65) SCN9AGRM5MAOBMAOA
SCHEMBL993071 0.60 MAOB (0.65) SCN9AGRM5MAOBMAOA
SCHEMBL7528147 0.59 ANPEP (0.46) SCN9ARAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011037833-A2 NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-03-31 WO disclosed