SCHEMBL789058

SCHEMBL789058

CC(C)CN(NC(=O)c1ccc(Br)cc1F)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
DGAT1 O75907 1/20 0.43
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
GPR27 Q9NS67 1/20 0.40
FPR2 P25090 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MCL1 Q07820 1/20 0.37
USP30 Q70CQ3 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL3343083 0.75 ALDH1A1 (0.51) TMEM97SIGMAR1NPC1RAB9ALMNA
SCHEMBL789059 0.75 TMEM97 (0.47) TMEM97SIGMAR1NPC1RAB9ALMNA
SCHEMBL4031225 0.73 RAB9A (0.48) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL3345916 0.73 DGAT1 (0.54) TMEM97SIGMAR1NPC1RAB9ALMNA
SCHEMBL29403395 0.72 KMT2A (0.44) ALDH1A1KMT2AKDM4EPOLB
SCHEMBL2924440 0.71 TMEM97 (0.49) TMEM97SIGMAR1NPC1RAB9ALMNA
SCHEMBL2927270 0.71 TMEM97 (0.49) TMEM97SIGMAR1NPC1RAB9ALMNA
SCHEMBL793201 0.71 DGAT1 (0.65) TMEM97SIGMAR1NPC1RAB9ALMNA
SCHEMBL1648482 0.71 DGAT1 (0.59) TMEM97SIGMAR1NPC1RAB9ALMNA
SCHEMBL27007857 0.70 DGAT1 (0.63) TMEM97SIGMAR1NPC1RAB9ALMNA

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-2616071-A2 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-24 EP disclosed
WO-2012037299-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed