SCHEMBL4039204

SCHEMBL4039204

CCCCC(C(=O)NCCC)C1(c2cccc(OC)c2OC)Nc2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
BRD4 O60885 1/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4037816 0.88 HPGD (0.38) TSHRHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4040091 0.82 LMNA (0.40) TSHRHPGDKMT2ANPSR1MEN1
SCHEMBL4043313 0.79 TSHR (0.38) TSHRHPGDKMT2ANPSR1MEN1
SCHEMBL4036919 0.79 CNR1 (0.38) TSHRHPGDSMN1; SMN2NPSR1ALDH1A1
SCHEMBL4040790 0.77 HCRTR1 (0.41) TSHRHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4043928 0.74 L3MBTL1 (0.35) TSHRHPGDSMN1; SMN2KMT2AMEN1
SCHEMBL16569002 0.74 HPGD (0.38) HPGDNPC1RAB9AKMT2AMEN1
SCHEMBL4036682 0.72 METAP2 (0.44) HPGDPOLBHTTALDH1A1
SCHEMBL4039856 0.71 HPGD (0.44) TSHRHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4039484 0.69 CNR1 (0.37) HPGDPOLBALDH1A1

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