SCHEMBL5047560

SCHEMBL5047560

CCCc1ccc(CCc2ccc(C[NH+]([O-])Cc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
MAOB P27338 2/20 0.41
DAO P14920 5/20 0.41
MIF P14174 1/20 0.39
IDO1 P14902 2/20 0.37
FDFT1 P37268 1/20 0.36
CA2 P00918 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5044440 0.90 TAAR1 (0.40) TAAR1MAOBDAOMIF
SCHEMBL1696674 0.84 TAAR1 (0.61) TAAR1MAOBDAOMIFIDO1
SCHEMBL5043877 0.82 MAOB (0.43) MAOBMEN1KMT2A
Ammonia Solution, Strong SCHEMBL6193177 0.82 TAAR1 (0.59) TAAR1MAOBDAOMIFIDO1
SCHEMBL8990753 0.80 MAOB (0.61) TAAR1MAOBDAOMIFFDFT1
SCHEMBL4965849 0.80 HSD17B10 (0.43) TAAR1MIFFDFT1CA2
SCHEMBL9809579 0.78 MAOB (0.63) TAAR1MAOBDAOMIFIDO1
SCHEMBL934227 0.75 TAAR1 (0.73) TAAR1MAOBDAOMIFIDO1
SCHEMBL27346303 0.74 TAAR1 (0.45) TAAR1MAOBDAOMIFIDO1
SCHEMBL9185806 0.74 TAAR1 (0.50) TAAR1MAOBDAOMIFIDO1

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 3 patents. 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
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed