SCHEMBL4770136

SCHEMBL4770136

[CH2]C[C@H](C)CC(=O)N(C(=O)Nc1ccccc1F)C1CCCNCC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
LMNA P02545 3/20 0.34
EPHX2 P34913 1/20 0.34
NPC1 O15118 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
FUCA1 P04066 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL4761934 0.90 HPGD (0.36) HPGDLMNAEPHX2NPC1KMT2A
SCHEMBL4770129 0.81 LMNA (0.37) HPGDLMNAEPHX2NPC1KMT2A
SCHEMBL7037396 0.80 NPC1 (0.39) HPGDLMNAEPHX2NPC1KMT2A
SCHEMBL4762985 0.78 DDB1 (0.34) HPGDLMNAEPHX2NPC1KMT2A
SCHEMBL7427475 0.72 PSEN1 (0.38) KMT2AMEN1ALDH1A1
SCHEMBL4766646 0.71 CTSK (0.45) NPC1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL4765540 0.71 NPC1 (0.37) NPC1ALDH1A1IDO1
SCHEMBL6605727 0.71 NPC1 (0.37) LMNANPC1KMT2AMEN1ALDH1A1
SCHEMBL4763005 0.71 TAS1R3 (0.48) NPC1
SCHEMBL6587495 0.71 TRPM8 (0.35) KMT2A

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-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed