SCHEMBL4035697

SCHEMBL4035697

COc1cccc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccc(F)cc3N2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.43
CNR2 P34972 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 2/20 0.39
DRD3 P35462 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL4037895 0.92 HPGD (0.43) CNR1CNR2L3MBTL1RAB9AALDH1A1
SCHEMBL4034357 0.92 HPGD (0.43) CNR1CNR2L3MBTL1RAB9AALDH1A1
SCHEMBL4035047 0.85 MEN1 (0.45) L3MBTL1RAB9AALDH1A1NPC1
SCHEMBL4041164 0.84 NPC1 (0.42) RAB9AALDH1A1NPC1
SCHEMBL4040710 0.84 NPC1 (0.42) RAB9AALDH1A1NPC1
SCHEMBL4039869 0.82 HPGD (0.45) L3MBTL1RAB9AALDH1A1HPGDNPC1
SCHEMBL4038175 0.82 METAP2 (0.37) CNR1CNR2L3MBTL1RAB9AALDH1A1
SCHEMBL4034659 0.81 NPC1 (0.43) RAB9AHTTALDH1A1HPGDNPC1
SCHEMBL3648571 0.81 HPGD (0.48) L3MBTL1RAB9AALDH1A1HPGDNPC1
SCHEMBL4036448 0.79 HPGD (0.43) CNR1CNR2L3MBTL1RAB9AHTT

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