SCHEMBL5048336

SCHEMBL5048336

CCCCCCCCCCCCNC(=O)c1cc(Br)c(CC([NH])c2cccc(-c3ccc(F)cc3)c2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
ASAH1 Q13510 1/20 0.40
PTGS2 P35354 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MLYCD O95822 1/20 0.38
ALOX15 P16050 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL5047944 0.86 DRD2 (0.46) NAAASMN1; SMN2NPC1LMNATP53
SCHEMBL5047987 0.85 PTGS2 (0.41) NAAASMN1; SMN2NPC1LMNATP53
SCHEMBL6022152 0.80 DRD2 (0.43) NAAASMN1; SMN2NPC1LMNATP53
SCHEMBL5044591 0.79 LTA4H (0.46) NPC1RAB9A
SCHEMBL1854176 0.76 NAAA (0.40) NAAANPC1RAB9AASAH1DRD2
SCHEMBL5655239 0.73 NAAA (0.54) NAAASMN1; SMN2LMNAL3MBTL1MLYCD
SCHEMBL5045572 0.73 ALDH1A1 (0.49) NAAASMN1; SMN2L3MBTL1MLYCDHDAC1
SCHEMBL5045562 0.71 ALDH1A1 (0.47) NAAASMN1; SMN2PTGS2DRD2DRD4
SCHEMBL5044168 0.71 ALDH1A1 (0.47) NAAASMN1; SMN2PTGS2DRD2DRD4
SCHEMBL5044228 0.71 NAMPT (0.46) NAAASMN1; SMN2L3MBTL1MLYCDHDAC1

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