SCHEMBL1850763

SCHEMBL1850763

CCCCCCCCC#Cc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
MMP2 P08253 1/20 0.42
MMP12 P39900 1/20 0.42
SCN8A Q9UQD0 1/20 0.39
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KCNH2 Q12809 5/20 0.38
LMNA P02545 1/20 0.38
RORC P51449 1/20 0.37
TNK2 Q07912 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1859815 1.00 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12SCN8A
SCHEMBL1852068 1.00 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12SCN8A
SCHEMBL4963278 1.00 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12SCN8A
SCHEMBL4966912 1.00 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12SCN8A
SCHEMBL6716909 0.92 FFAR1 (0.50) FFAR1FFAR4MMP2MMP12SCN8A
SCHEMBL6716853 0.89 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12S1PR2
SCHEMBL1853554 0.89 FFAR1 (0.46) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1853660 0.89 FFAR1 (0.46) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1855040 0.88 SCN8A (0.40) FFAR1FFAR4SCN8AS1PR2S1PR4
SCHEMBL1852885 0.88 FFAR1 (0.45) FFAR1FFAR4MMP2MMP12HRH3

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 8 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-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP claimed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO 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-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP disclosed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO disclosed