SCHEMBL4971850

SCHEMBL4971850

FC(F)(F)c1ccc(CNCc2ccc(C#CCCCC3CCCCC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
RAB9A P51151 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NMT2 O60551 1/20 0.36
NMT1 P30419 1/20 0.36
PDE9A O76083 2/20 0.35
CXCL12 P48061 1/20 0.35
CXCR4 P61073 1/20 0.35
MAOB P27338 2/20 0.35
NPC1 O15118 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL5048882 0.81 HRH3 (0.37) ADAMTS4ADAMTS5NMT2NMT1MAOB
SCHEMBL1855276 0.80 PTGES (0.41) ADAMTS4ADAMTS5HDAC6NMT2NMT1
SCHEMBL1859815 0.79 FFAR1 (0.49) HDAC6SMN1; SMN2SCN8AALDH1A1HRH3
SCHEMBL4966912 0.79 FFAR1 (0.49) HDAC6SMN1; SMN2SCN8AALDH1A1HRH3
SCHEMBL1850254 0.79 GABRP (0.38) HDAC6SCN8AKDM4EALDH1A1
SCHEMBL1852068 0.79 FFAR1 (0.49) HDAC6SMN1; SMN2SCN8AALDH1A1HRH3
SCHEMBL4963278 0.79 FFAR1 (0.49) HDAC6SMN1; SMN2SCN8AALDH1A1HRH3
SCHEMBL1850763 0.79 FFAR1 (0.49) HDAC6SMN1; SMN2SCN8AALDH1A1HRH3
SCHEMBL5044891 0.72 GABRP (0.43) HDAC6SCN8AALDH1A1ITGB1ITGA4
SCHEMBL6716909 0.71 FFAR1 (0.50) SMN1; SMN2SCN8AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed
EP-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP disclosed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed