SCHEMBL5044219

SCHEMBL5044219

CCCCCCCCCCCCNC(=O)c1ccc(CNCc2ccc(OC(F)(F)F)cc2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.48
EPHX2 P34913 3/20 0.47
NR1H4 Q96RI1 1/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
KDM4E B2RXH2 4/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP3A4 P08684 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 1/20 0.46
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
TRPV1 Q8NER1 5/20 0.45
HTR2C P28335 1/20 0.45
GAA P10253 1/20 0.45
SLC6A5 Q9Y345 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44

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
SCHEMBL5044232 0.90 MAPK14 (0.49) MLYCDHPGDHDAC3HDAC1TRPV1
SCHEMBL5044609 0.90 EPHX2 (0.52) EPHX2NR1H4ALDH1A1HPGDKDM4E
SCHEMBL5048873 0.87 MLYCD (0.54) MLYCDEPHX2ALDH1A1HPGDHDAC3
SCHEMBL6022083 0.86 TRPV1 (0.48) MLYCDEPHX2NR1H4ALDH1A1HPGD
SCHEMBL27619621 0.86 NAAA (0.48) EPHX2ALDH1A1HPGDHDAC3HDAC1
SCHEMBL28752190 0.84 FOLH1 (0.47) MLYCDHPGDHDAC3HDAC1HDAC2
SCHEMBL1851709 0.84 GCGR (0.48) MLYCDEPHX2NR1H4ALDH1A1HPGD
SCHEMBL5044218 0.81 MLYCD (0.47) MLYCDEPHX2ALDH1A1HPGDKDM4E
SCHEMBL5044055 0.81 MLYCD (0.51) MLYCDALDH1A1CYP2C19CYP3A4HDAC3
SCHEMBL24119885 0.80 MLYCD (0.68) MLYCDEPHX2NR1H4ALDH1A1HDAC3

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