SCHEMBL4037816

SCHEMBL4037816

CCCNC(=O)C(CC(C)C)C1(c2cccc(OC)c2OC)Nc2ccccc2N1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
ANPEP P15144 2/20 0.37
TSHR P16473 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 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
BRD4 O60885 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GSK3B P49841 1/20 0.33
CTSK P43235 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
SCHEMBL4039204 0.88 TSHR (0.43) HPGDHTTTSHRNPC1RAB9A
SCHEMBL16569002 0.84 HPGD (0.38) HPGDHTTANPEPNPC1RAB9A
SCHEMBL4036448 0.82 HPGD (0.43) HPGDHTTTSHRRAB9AKMT2A
SCHEMBL4040091 0.78 LMNA (0.40) HPGDTSHRKMT2AMEN1
SCHEMBL4038755 0.76 HPGD (0.43) HPGDHTTANPEPTSHRKMT2A
SCHEMBL4043313 0.76 TSHR (0.38) HPGDTSHRKMT2AMEN1
SCHEMBL4036919 0.76 CNR1 (0.38) HPGDTSHRSMN1; SMN2ALDH1A1
SCHEMBL4040790 0.73 HCRTR1 (0.41) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL4038175 0.69 METAP2 (0.37) HPGDRAB9ASMN1; SMN2TDP1ALDH1A1
SCHEMBL4039555 0.69 USP2 (0.38) SMN1; SMN2KMT2AMEN1ALDH1A1

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 4 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-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