SCHEMBL5047490

SCHEMBL5047490

CCCCCCCCCCCCNC(=O)c1ccc(CN(O)Cc2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.53
CA2 P00918 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NAAA Q02083 2/20 0.47
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TMEM97 Q5BJF2 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
KDM4E B2RXH2 1/20 0.42
LSS P48449 1/20 0.41
HDAC3 O15379 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PDK1 Q15118 1/20 0.40

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
SCHEMBL5044129 0.89 MRGPRX4 (0.47) MLYCDCA2L3MBTL1NAAAALDH1A1
SCHEMBL1855106 0.88 MLYCD (0.49) MLYCDCA2L3MBTL1NAAATHRA
SCHEMBL27601057 0.85 MLYCD (0.55) MLYCDCA2L3MBTL1NAAATHRA
SCHEMBL1853992 0.83 CA2 (0.46) MLYCDCA2L3MBTL1NAAATHRA
SCHEMBL13577948 0.83 MLYCD (0.59) MLYCDCA2L3MBTL1NAAATHRA
SCHEMBL5045657 0.80 NAAA (0.71) MLYCDCA2L3MBTL1NAAATHRA
SCHEMBL5045529 0.80 TRPV1 (0.60) L3MBTL1NAAASMN1; SMN2TMEM97SIGMAR1
SCHEMBL5044615 0.80 TMEM97 (0.60) MLYCDCA2L3MBTL1NAAATHRA
SCHEMBL1850884 0.78 NAAA (0.44) MLYCDCA2L3MBTL1NAAAALDH1A1
SCHEMBL5044180 0.77 MRGPRX4 (0.48) MLYCDCA2NAAAALDH1A1SMN1; 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 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