SCHEMBL5048862

SCHEMBL5048862

CCCCCCCCCCCCNC(=O)c1cccc(CC([NH])c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
MRGPRX4 Q96LA9 4/20 0.52
TP53BP1 Q12888 1/20 0.51
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 1/20 0.49
NAMPT P43490 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NAAA Q02083 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
MLYCD O95822 1/20 0.45
GPR139 Q6DWJ6 1/20 0.45
GPR52 Q9Y2T5 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL5044016 0.91 MRGPRX4 (0.53) ALDH1A1POLBMRGPRX4TP53BP1HDAC3
SCHEMBL5045572 0.85 ALDH1A1 (0.49) ALDH1A1POLBMRGPRX4TP53BP1HDAC3
SCHEMBL2358408 0.83 POLB (0.80) ALDH1A1POLBMRGPRX4TP53BP1HDAC3
SCHEMBL7220582 0.82 POLB (0.82) ALDH1A1POLBMRGPRX4TP53BP1HDAC3
SCHEMBL5048864 0.81 ALDH1A1 (0.62) ALDH1A1POLBMRGPRX4TP53BP1HDAC3
SCHEMBL5045562 0.81 ALDH1A1 (0.47) ALDH1A1POLBMRGPRX4TP53BP1HDAC3
SCHEMBL5044168 0.81 ALDH1A1 (0.47) ALDH1A1POLBMRGPRX4TP53BP1HDAC3
SCHEMBL5049250 0.79 SMN1; SMN2 (0.48) ALDH1A1HDAC3HDAC1NAMPTSMN1; SMN2
SCHEMBL6359269 0.78 POLB (0.84) ALDH1A1POLBMRGPRX4TP53BP1HDAC3
SCHEMBL5048860 0.77 MLYCD (0.53) ALDH1A1HDAC3HDAC1HDAC2NAMPT

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