SCHEMBL5044281

SCHEMBL5044281

CCCCCCCCCCC#Cc1cccc(C[CH]c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CYP2D6 P10635 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PTGES O14684 4/20 0.35
MMP2 P08253 1/20 0.33
MMP12 P39900 1/20 0.33
AKR1C3 P42330 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
GGPS1 O95749 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL1855040 0.81 SCN8A (0.40) KCNH2FFAR1FFAR4CYP2D6HRH3
SCHEMBL7686536 0.75 KCNH2 (0.43) KCNH2FFAR1FFAR4CYP2D6HRH3
SCHEMBL7686532 0.75 KCNH2 (0.43) KCNH2FFAR1FFAR4CYP2D6HRH3
SCHEMBL7686533 0.75 KCNH2 (0.43) KCNH2FFAR1FFAR4CYP2D6HRH3
SCHEMBL1853105 0.74 PTGES (0.52) FFAR1FFAR4PTGESMMP2MMP12
SCHEMBL5676711 0.74 KCNH2 (0.43) KCNH2FFAR1FFAR4CYP2D6HRH3
SCHEMBL5678410 0.74 KCNH2 (0.43) KCNH2FFAR1FFAR4CYP2D6HRH3
SCHEMBL3936713 0.74 GRM5 (0.45) KCNH2FFAR1PTGES
SCHEMBL10754443 0.73 KCNH2 (0.49) KCNH2FFAR1FFAR4CYP2D6HRH3
SCHEMBL10751583 0.73 KCNH2 (0.49) KCNH2FFAR1FFAR4CYP2D6HRH3

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