SCHEMBL5044022

SCHEMBL5044022

CCCCCCCCCCCCNC(=O)c1cccc(CNCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.56
MLYCD O95822 1/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
NAAA Q02083 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
TP53BP1 Q12888 1/20 0.50
HDAC3 O15379 5/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
NAMPT P43490 2/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL5048864 0.92 ALDH1A1 (0.62) MRGPRX4MLYCDALDH1A1POLBNAAA
SCHEMBL1852697 0.91 MLYCD (0.58) MRGPRX4MLYCDALDH1A1POLBNAAA
SCHEMBL1853826 0.90 MLYCD (0.64) MLYCDALDH1A1NAAASMN1; SMN2HDAC3
SCHEMBL1855176 0.87 NAAA (0.68) MLYCDNAAASMN1; SMN2HDAC3HDAC1
SCHEMBL28752189 0.86 SMN1; SMN2 (0.57) MLYCDNAAASMN1; SMN2HDAC3HDAC1
SCHEMBL27601089 0.85 NAAA (0.62) ALDH1A1NAAASMN1; SMN2HDAC3NAMPT
SCHEMBL5044180 0.85 MRGPRX4 (0.48) MRGPRX4MLYCDALDH1A1POLBNAAA
SCHEMBL1858157 0.84 TMEM97 (0.53) MRGPRX4MLYCDALDH1A1POLBNAAA
SCHEMBL27619626 0.83 GAA (0.58) NAAASMN1; SMN2HDAC1
SCHEMBL5045292 0.83 SMN1; SMN2 (0.53) MLYCDNAAASMN1; SMN2HDAC3HDAC1

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-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 claimed
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 claimed