SCHEMBL6170692

SCHEMBL6170692

N#CCc1cc(=O)c(OCc2ccccc2)co1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
LDHA P00338 2/20 0.50
DAO P14920 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.43
MAOB P27338 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
IDH1 O75874 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
SCHEMBL29360190 0.83 KMT2A (0.49) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL2116138 0.82 KMT2A (0.59) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL2432852 0.82 RAB9A (0.56) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL11863320 0.82 LOXL2 (0.57) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL9010390 0.82 DAO (0.68) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL2116925 0.82 RAB9A (0.75) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL1584925 0.82 RAB9A (0.56) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL9010386 0.78 MEN1 (0.50) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL9144054 0.77 NPC1 (0.51) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL2119743 0.76 NPC1 (0.53) RAB9ANPC1CYP1A2CYP2C19RECQL

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-1495020-A1 N-(MORPHOLIN-2YL) METHYL ACETAMIDE DERIVATIVES AS CCR-3 ANTAGONISTS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-01-12 EP disclosed
WO-2003082863-A1 N-(MORPHOLIN-2YL) METHYL ACETAMIDE DERIVATIVES AS CCR-3 ANTAGONISTS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed