SCHEMBL5044440

SCHEMBL5044440

CCCc1ccc(C#Cc2ccc(C[NH+]([O-])Cc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
ACACB O00763 4/20 0.39
FFAR1 O14842 1/20 0.39
MIF P14174 1/20 0.38
MAOB P27338 2/20 0.36
KIF11 P52732 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PSMB5 P28074 1/20 0.34
DAO P14920 1/20 0.34

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
SCHEMBL4965849 0.91 HSD17B10 (0.43) TAAR1FFAR1MIFPTGDR2
SCHEMBL5047560 0.90 TAAR1 (0.46) TAAR1MIFMAOBDAO
SCHEMBL9185806 0.88 TAAR1 (0.50) TAAR1ACACBFFAR1MIFMAOB
SCHEMBL4974276 0.83 MTNR1A (0.32) ACACBFFAR1MAOB
SCHEMBL5044254 0.80 FFAR1 (0.47) FFAR1KIF11PTGDR2
SCHEMBL1696674 0.78 TAAR1 (0.61) TAAR1MIFMAOBDAO
SCHEMBL17225164 0.77 HSD17B10 (0.49) TAAR1FFAR1MIFPTGDR2
SCHEMBL5043877 0.76 MAOB (0.43) MAOB
Ammonia Solution, Strong SCHEMBL6193177 0.76 TAAR1 (0.59) TAAR1MIFMAOBDAO
SCHEMBL9328434 0.74 ACACB (0.54) ACACBFFAR1

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 5 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 disclosed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed