SCHEMBL5046558

SCHEMBL5046558

CCCCCCCCC#Cc1ccc(CC([NH])c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MMP2 P08253 1/20 0.39
MMP12 P39900 1/20 0.39
TNK2 Q07912 1/20 0.36
SLC6A4 P31645 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KCNH2 Q12809 4/20 0.34
FFAR2 O15552 1/20 0.33
ACACB O00763 1/20 0.33
PPARG P37231 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL5047701 1.00 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL5044417 1.00 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL5045663 0.88 FFAR1 (0.37) FFAR1FFAR4SLC6A4HRH3ACACB
SCHEMBL5046517 0.84 FFAR1 (0.50) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL5039923 0.84 ACACB (0.45) FFAR1ACACBPPARG
SCHEMBL5044384 0.84 PTGES2 (0.33) FFAR1FFAR4KCNH2FFAR2PPARG
SCHEMBL5044888 0.83 ITGB1 (0.45) FFAR1FFAR4MMP2MMP12ACACB
SCHEMBL5044913 0.81 HTR2A (0.43) SLC6A4
SCHEMBL5048882 0.81 HRH3 (0.37) SLC6A4HRH3FFAR2
SCHEMBL6715158 0.81 FFAR1 (0.49) 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