SCHEMBL5047553

SCHEMBL5047553

CCCc1ccc(CCc2ccc(CC([N][O])c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
DAO P14920 4/20 0.39
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
PDE2A O00408 1/20 0.37
MIF P14174 1/20 0.37
PSMB5 P28074 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
EPHX2 P34913 1/20 0.36
MAOB P27338 1/20 0.36
PTGER4 P35408 1/20 0.35

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
SCHEMBL5044438 0.91 ACACB (0.43) TAAR1PPARGPPARAMIFPSMB5
SCHEMBL5048897 0.76 ACACB (0.35) MAOB
SCHEMBL1696674 0.76 TAAR1 (0.61) TAAR1DAOMIFMAOB
SCHEMBL5046020 0.76 PPARG (0.53) PPARGPPARAEPHX2
Ammonia Solution, Strong SCHEMBL6193177 0.75 TAAR1 (0.59) TAAR1DAOMIFMAOB
SCHEMBL5045018 0.74 TP53 (0.45)
SCHEMBL8990753 0.73 MAOB (0.61) TAAR1DAOMIFMAOB
SCHEMBL9809579 0.71 MAOB (0.63) TAAR1DAOMIFMAOB
SCHEMBL934227 0.69 TAAR1 (0.73) TAAR1DAOMIFMAOB
SCHEMBL6660765 0.69 MEN1 (0.42) TAAR1PPARGPPARAPDE2APSMB5

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