SCHEMBL4036682

SCHEMBL4036682

COc1cccc(C2(C(CCc3ccccc3)C(=O)NC3CCCCC3)Nc3ccccc3N2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
SLC6A12 P48065 1/20 0.43
APLNR P35414 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
POLB P06746 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
HTT P42858 1/20 0.40
MMP2 P08253 2/20 0.40
CTSD P07339 1/20 0.40
MMP3 P08254 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4038935 0.92 METAP2 (0.43) METAP2APLNRALDH1A1HPGDPOLB
SCHEMBL4036448 0.86 HPGD (0.43) SLC6A12ALDH1A1HPGDCNR1CNR2
SCHEMBL4038005 0.86 HPGD (0.41) ALDH1A1HPGDL3MBTL1
SCHEMBL4040042 0.85 MEN1 (0.46) METAP2HPGDCNR1CNR2CTSD
SCHEMBL4034357 0.84 HPGD (0.43) SLC6A12ALDH1A1HPGDCNR1CNR2
SCHEMBL4037895 0.84 HPGD (0.43) SLC6A12ALDH1A1HPGDCNR1CNR2
SCHEMBL4035090 0.77 ALDH1A1 (0.43) ALDH1A1HPGDHTTMMP2MMP3
SCHEMBL4038175 0.77 METAP2 (0.37) METAP2ALDH1A1HPGDCNR1CNR2
SCHEMBL4035697 0.77 CNR1 (0.43) ALDH1A1HPGDCNR1CNR2HTT
SCHEMBL4039856 0.77 HPGD (0.44) ALDH1A1HPGD

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