SCHEMBL14209682

SCHEMBL14209682

COC(=O)CNCCOc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
HPGD P15428 4/20 0.62
L3MBTL1 Q9Y468 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TSHR P16473 3/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPK1 P28482 3/20 0.51
TP53 P04637 2/20 0.51
RAB9A P51151 2/20 0.51
ACHE P22303 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL4014336 0.89 MEN1 (0.61) MAPTMEN1KMT2AHPGDL3MBTL1
SCHEMBL6142006 0.81 MEN1 (0.67) MAPTMEN1KMT2AHPGDL3MBTL1
SCHEMBL27374650 0.79 MEN1 (0.84) MAPTMEN1KMT2AHPGDL3MBTL1
SCHEMBL4014301 0.78 MEN1 (0.67) MAPTMEN1KMT2AHPGDL3MBTL1
SCHEMBL12218388 0.78 MAPT (0.72) MAPTMEN1KMT2AHPGDL3MBTL1
SCHEMBL10016463 0.77 MEN1 (1.00) MAPTMEN1KMT2AHPGDL3MBTL1
SCHEMBL8348018 0.76 MAPT (0.55) MAPTMEN1KMT2AHPGDL3MBTL1
SCHEMBL4297872 0.76 MEN1 (0.75) MAPTMEN1KMT2AHPGDL3MBTL1
SCHEMBL5695090 0.75 TDP1 (0.65) MAPTHPGDL3MBTL1CYP1A2CYP3A4
SCHEMBL742018 0.75 MEN1 (0.77) MAPTMEN1KMT2AHPGDL3MBTL1

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
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed