SCHEMBL4437768

SCHEMBL4437768

O=C(O)N(CCO)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
CES2 O00748 1/20 0.44
LTB4R2 Q9NPC1 2/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC8 Q9BY41 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
KCNH2 Q12809 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
SRD5A2 P31213 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL15397518 0.84 GPBAR1 (0.42) MEN1KMT2ACES2L3MBTL1
SCHEMBL7993902 0.82 OPRM1 (0.46) MEN1KMT2ACES2HDAC1HDAC6
SCHEMBL4632782 0.81 MEN1 (0.44) MEN1KMT2ALTB4R2HDAC1HDAC6
SCHEMBL20357360 0.81 MEN1 (0.44) MEN1KMT2ACES2LTB4R2HDAC1
SCHEMBL10700469 0.80 MEN1 (0.54) MEN1KMT2ACES2CYP1A2CYP3A4
SCHEMBL4440953 0.80 LTB4R2 (0.43) MEN1KMT2ACES2LTB4R2HDAC1
SCHEMBL1334800 0.78 HDAC1 (0.49) MEN1KMT2ALTB4R2HDAC1HDAC6
SCHEMBL7791465 0.76 HDAC3 (0.51) MEN1KMT2ALTB4R2HDAC1HDAC6
SCHEMBL1847416 0.76 CES2 (0.50) MEN1KMT2ACES2SRD5A2MAPT
SCHEMBL1703719 0.74 CES2 (0.49) MEN1KMT2ACES2SRD5A2MAPT

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-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed