SCHEMBL4040091

SCHEMBL4040091

CCCCNC(=O)C(c1ccccc1)C1(c2cccc(OC)c2OC)Nc2ccccc2N1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
PAX8 Q06710 1/20 0.40
NAAA Q02083 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTSD P07339 1/20 0.36

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
SCHEMBL4036919 0.94 CNR1 (0.38) HPGDTSHRNPSR1CTSD
SCHEMBL4040790 0.91 HCRTR1 (0.41) LMNAHCRTR1HCRTR2HPGDTSHR
SCHEMBL4043313 0.88 TSHR (0.38) HPGDTSHRMEN1KMT2ANPSR1
SCHEMBL4043642 0.84 CTSD (0.46) LMNAPAX8NAAAHCRTR1HCRTR2
SCHEMBL4039204 0.82 TSHR (0.43) HPGDTSHRMEN1KMT2ANPSR1
SCHEMBL4043634 0.80 CTSD (0.42) LMNAPAX8MEN1KMT2ACTSD
SCHEMBL4037816 0.78 HPGD (0.38) HPGDTSHRMEN1KMT2A
SCHEMBL4036859 0.77 CTSD (0.40) LMNAPAX8MEN1KMT2ACTSD
SCHEMBL4038953 0.76 HCRTR1 (0.43) LMNAHCRTR1HCRTR2TSHRMEN1
SCHEMBL4039555 0.76 USP2 (0.38) LMNAMEN1KMT2ANPSR1

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