SCHEMBL5039769

SCHEMBL5039769

CCCCCCCCC#Cc1ccc(CC([NH])c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 2/20 0.46
MMP2 P08253 1/20 0.37
MMP12 P39900 1/20 0.37
KCNH2 Q12809 3/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
TNK2 Q07912 1/20 0.35
CYP3A4 P08684 4/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD11B1 P28845 1/20 0.32
TSHR P16473 3/20 0.32
CYP1A2 P05177 2/20 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
SCHEMBL5049002 0.81 LTA4H (0.43) NPC1RAB9AHPGDTP53
SCHEMBL5044417 0.80 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5046558 0.80 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5047701 0.80 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5048982 0.77 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL6783491 0.75 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1851716 0.74 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1853472 0.74 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1854091 0.74 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1849960 0.74 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12KCNH2

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