SCHEMBL4037807

SCHEMBL4037807

COc1ccc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.46
LMNA P02545 1/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALPL P05186 1/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX1 P07099 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL4036857 0.92 HPGD (0.43) CTSDLMNAHCRTR1HCRTR2ALDH1A1
SCHEMBL4037831 0.92 KMT2A (0.42) CTSDLMNAHCRTR1HCRTR2ALDH1A1
SCHEMBL4036553 0.92 HPGD (0.45) CTSDALDH1A1HPGDMEN1KMT2A
SCHEMBL4037528 0.91 KMT2A (0.44) CTSDLMNAALDH1A1HPGDMEN1
SCHEMBL4040352 0.91 KMT2A (0.44) CTSDLMNAALDH1A1HPGDMEN1
SCHEMBL4039515 0.86 EPHX1 (0.44) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL4039067 0.84 NPC1 (0.44) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL4040460 0.84 MEN1 (0.46) HCRTR1HCRTR2ALDH1A1MEN1KMT2A
SCHEMBL4040812 0.84 CNR1 (0.47) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL4037071 0.83 EPHX1 (0.46) LMNAALDH1A1TSHRMEN1KMT2A

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