SCHEMBL5046517

SCHEMBL5046517

CCCCCCC#Cc1ccc(C([NH])Cc2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
MMP2 P08253 1/20 0.41
MMP12 P39900 1/20 0.41
TNK2 Q07912 1/20 0.38
ACACB O00763 1/20 0.37
KCNH2 Q12809 4/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PYCR1 P32322 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
GGPS1 O95749 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
SCHEMBL5044417 0.84 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL5046558 0.84 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL5047701 0.84 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL6937078 0.82 FFAR1 (0.55) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1897376 0.82 FFAR1 (0.55) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1852799 0.78 LMNA (0.57) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL1852798 0.78 FFAR1 (0.52) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL4623168 0.76 FFAR1 (0.46) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL5886652 0.74 FFAR1 (0.63) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL15588318 0.74 FFAR1 (0.42) FFAR1FFAR4MMP2MMP12ACACB

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