SCHEMBL5044055

SCHEMBL5044055

CCCCCCCCCCCCNC(=O)c1ccc(CNCc2cccc(C(F)(F)F)c2)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
TP53BP1 Q12888 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
PLA2G1B P04054 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
HDAC2 Q92769 1/20 0.45
NAMPT P43490 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL5048873 0.89 MLYCD (0.54) MLYCDALDH1A1POLBHDAC3HDAC1
SCHEMBL5043673 0.89 ALDH1A1 (0.50) MLYCDALDH1A1POLBTP53BP1MRGPRX4
SCHEMBL5048864 0.88 ALDH1A1 (0.62) MLYCDALDH1A1POLBTP53BP1MRGPRX4
SCHEMBL1852697 0.87 MLYCD (0.58) MLYCDALDH1A1POLBTP53BP1MRGPRX4
SCHEMBL5044051 0.87 ALDH1A1 (0.51) MLYCDALDH1A1POLBTP53BP1MRGPRX4
SCHEMBL5044232 0.86 MAPK14 (0.49) MLYCDHDAC3HDAC1NAMPTMAPK14
SCHEMBL1855242 0.84 ALDH1A1 (0.46) MLYCDALDH1A1POLBTP53BP1MRGPRX4
SCHEMBL5044219 0.81 MLYCD (0.48) MLYCDALDH1A1HDAC3HDAC1CYP1A2
SCHEMBL5044022 0.81 MRGPRX4 (0.56) MLYCDALDH1A1POLBTP53BP1MRGPRX4
SCHEMBL28752190 0.80 FOLH1 (0.47) MLYCDHDAC3HDAC1HDAC2SMN1; SMN2

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 4 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-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
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