SCHEMBL4037895

SCHEMBL4037895

COc1cccc(C2([C@@H](C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 1/20 0.43
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A12 P48065 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4034357 1.00 HPGD (0.43) HPGDALDH1A1L3MBTL1RAB9ACNR1
SCHEMBL4035697 0.92 CNR1 (0.43) HPGDALDH1A1L3MBTL1RAB9ACNR1
SCHEMBL4039869 0.91 HPGD (0.45) HPGDALDH1A1L3MBTL1RAB9AMEN1
SCHEMBL4038175 0.90 METAP2 (0.37) HPGDALDH1A1L3MBTL1RAB9ACNR1
SCHEMBL4036448 0.87 HPGD (0.43) HPGDALDH1A1L3MBTL1RAB9ACNR1
SCHEMBL4036682 0.84 METAP2 (0.44) HPGDALDH1A1L3MBTL1CNR1CNR2
SCHEMBL4044757 0.83 MEN1 (0.48) ALDH1A1L3MBTL1RAB9AMEN1NPC1
SCHEMBL4034697 0.83 MEN1 (0.48) ALDH1A1L3MBTL1RAB9AMEN1NPC1
SCHEMBL1577410 0.83 MEN1 (0.48) ALDH1A1L3MBTL1RAB9AMEN1NPC1
SCHEMBL4040460 0.83 MEN1 (0.46) ALDH1A1L3MBTL1RAB9AMEN1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP claimed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO claimed
EP-3043865-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2016-07-20 EP disclosed
WO-2015036442-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2015-03-19 WO disclosed
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed