SCHEMBL14720115

SCHEMBL14720115

Cc1cc(Br)ccc1C(=O)N(C)C[C@@H]1CCN(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.43
LIMK2 P53671 2/20 0.38
TPSAB1 Q15661 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
MAPK14 Q16539 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
EED O75530 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL14720250 0.88 FASN (0.53) FASNKMT2A
SCHEMBL14720297 0.85 LIMK2 (0.48) FASNLIMK2TPSAB1KMT2AMEN1
SCHEMBL22858909 0.76 NPC1 (0.41) KMT2AUTS2RNPC1RAB9AEED
SCHEMBL22858905 0.76 NPC1 (0.41) KMT2AUTS2RNPC1RAB9AEED
Hydrochloric Acid SCHEMBL14721951 0.75 USP30 (0.45) KMT2AMEN1
SCHEMBL14720344 0.74 OPRM1 (0.42) ALDH1A1KDM4E
SCHEMBL14720096 0.73 OXTR (0.32) KMT2AUTS2REEDKDM4EOXTR
SCHEMBL22220786 0.73 FASN (0.58) FASNOXTRAVPR1A
SCHEMBL14720668 0.73 OPRD1 (0.39) LIMK2TPSAB1KMT2AITGB3ITGA2B
SCHEMBL22220858 0.72 FASN (0.56) FASNKMT2AMEN1NPC1RAB9A

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
WO-2013028445-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed