SCHEMBL5040477

SCHEMBL5040477

CCCCCCCCC#Cc1ccc(CN(O)C(C)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MMP2 P08253 1/20 0.38
MMP12 P39900 1/20 0.38
SLC6A4 P31645 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TNK2 Q07912 1/20 0.36
PTGES O14684 1/20 0.36
KCNH2 Q12809 2/20 0.33
SLC6A2 P23975 1/20 0.33
PYCR1 P32322 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
GGPS1 O95749 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL1853074 0.84 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12SLC6A4
SCHEMBL5045610 0.82 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12HRH3
SCHEMBL6715158 0.81 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12SLC6A4
SCHEMBL1854069 0.81 FFAR1 (0.41) FFAR1FFAR4MMP2MMP12SLC6A4
SCHEMBL1856884 0.81 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12HRH3
SCHEMBL6022059 0.81 FFAR1 (0.45) FFAR1FFAR4MMP2MMP12SLC6A4
SCHEMBL1852611 0.80 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1851396 0.80 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1851808 0.80 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL4669842 0.80 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed