SCHEMBL8097362

SCHEMBL8097362

CC(NC(=O)CC(=O)Nc1ccc(N)cc1)C1C=CC(Oc2cccc(CO)c2)=C(Br)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.34
FFAR1 O14842 4/20 0.32
FPR1 P21462 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
MTNR1A P48039 4/20 0.32
LTA4H P09960 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
HTT P42858 1/20 0.31
PTGES O14684 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL14647018 0.71 F7 (0.39) MTNR1BFFAR1LTA4HNPC1RAB9A
SCHEMBL860262 0.66 F7 (0.41) NPC1POLBRAB9A
SCHEMBL860435 0.65 F7 (0.51)
SCHEMBL840797 0.64 FFAR1 (0.40) FFAR1MEN1POLBRAB9AKMT2A
SCHEMBL840788 0.63 F7 (0.42)
SCHEMBL24075754 0.61 RNF4 (0.69) MTNR1BFFAR1MTNR1ANPC1POLB
SCHEMBL13452875 0.60 ALDH1A1 (0.66) LTA4HMEN1NPC1RAB9AKMT2A
SCHEMBL710331 0.59 MAPT (0.59) MEN1NPC1RAB9AKMT2AHTT
SCHEMBL10061571 0.58 USP2 (0.68) MTNR1BMTNR1AMEN1NPC1RAB9A
SCHEMBL2174618 0.57 ALDH1A1 (0.47) MTNR1BPOLB

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-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 WO disclosed