SCHEMBL5044384

SCHEMBL5044384

CCCCCCCCCCC#Cc1ccc(CC([NH])c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.33
KCNH2 Q12809 2/20 0.32
FFAR1 O14842 3/20 0.32
FFAR4 Q5NUL3 1/20 0.32
FFAR2 O15552 1/20 0.31
PPARG P37231 2/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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) KCNH2FFAR1FFAR4FFAR2PPARG
SCHEMBL5046558 0.84 FFAR1 (0.47) KCNH2FFAR1FFAR4FFAR2PPARG
SCHEMBL5047701 0.84 FFAR1 (0.47) KCNH2FFAR1FFAR4FFAR2PPARG
SCHEMBL1853689 0.81 SCN8A (0.37) PTGES2KCNH2FFAR1FFAR4PPARG
SCHEMBL6720907 0.79 KDM4E (0.35) KCNH2FFAR1FFAR4
SCHEMBL5044094 0.75 CYP3A4 (0.38) KCNH2
SCHEMBL1855159 0.75 FFAR1 (0.34) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL5045784 0.75
SCHEMBL5044913 0.75 HTR2A (0.43)
SCHEMBL1857109 0.74 FFAR1 (0.38) FFAR1FFAR4PPARGPPARA

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