SCHEMBL4591870

SCHEMBL4591870

O=C(NC1CCCCC1C(=O)O)c1ccc(-c2ccc(Nc3cccc(Cl)c3)nn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.61
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.47
CAMK2D Q13557 1/20 0.43
KCNH2 Q12809 1/20 0.43
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
HCK P08631 1/20 0.42
ROS1 P08922 1/20 0.42
PIM1 P11309 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
SCHEMBL180781 1.00 DGAT1 (0.61) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL180744 0.98 DGAT1 (0.61) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL180521 0.80 DGAT1 (0.71) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL181064 0.78 DGAT1 (0.54) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL181063 0.78 DGAT1 (0.54) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL180569 0.77 DGAT1 (0.55) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL180568 0.77 DGAT1 (0.55) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL180660 0.76 DGAT1 (1.00) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL180780 0.76 DGAT1 (0.66) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL12203212 0.75 DGAT1 (0.51) DGAT1NPC1RAB9AALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004607-A2 NEW COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 WO disclosed