SCHEMBL5045111

SCHEMBL5045111

CCCCCCCCC#Cc1ccc(C[N]Cc2ccc(C(F)(F)F)cc2)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.38
TSHR P16473 1/20 0.38
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KCNH2 Q12809 2/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
PGR P06401 2/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 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
SCHEMBL6022946 0.88 CYP3A4 (0.42) CYP3A4TSHRFFAR1FFAR4KCNH2
SCHEMBL6022173 0.85 DNM1 (0.35) CYP3A4TSHRFFAR1FFAR4KCNH2
SCHEMBL6721375 0.85 DNM1 (0.35) CYP3A4TSHRFFAR1FFAR4KCNH2
SCHEMBL1852601 0.83 CYSLTR2 (0.35) CYP3A4TSHRFFAR1FFAR4KCNH2
SCHEMBL1852603 0.83 CYP3A4 (0.35) CYP3A4TSHRFFAR1FFAR4KCNH2
SCHEMBL6824407 0.83 CYP3A4 (0.35) CYP3A4TSHRFFAR1FFAR4KCNH2
SCHEMBL1859814 0.81 FFAR1 (0.49) CYP3A4TSHRFFAR1FFAR4KCNH2
SCHEMBL1850760 0.81 FFAR1 (0.49) CYP3A4TSHRFFAR1FFAR4KCNH2
SCHEMBL1852067 0.81 FFAR1 (0.49) CYP3A4TSHRFFAR1FFAR4KCNH2
SCHEMBL5048879 0.80 CYSLTR2 (0.35) CYP3A4TSHRKCNH2CYSLTR2CYSLTR1

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