SCHEMBL4034826

SCHEMBL4034826

N#Cc1ccc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.40
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HIF1A Q16665 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 3/20 0.36
PDE4B Q07343 2/20 0.35
PDE4D Q08499 2/20 0.35
HTT P42858 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL4034837 0.85 NPC1 (0.48) ALDH1A1NR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL4041338 0.85 SMN1; SMN2 (0.41) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4045481 0.85 MDM2 (0.42) MAPTALDH1A1NR1H4MEN1KMT2A
SCHEMBL4042940 0.81 TSHR (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4044228 0.81 TSHR (0.41) GRM5ALDH1A1NR1H4MEN1KMT2A
SCHEMBL4044805 0.81 SMN1; SMN2 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4037703 0.80 TRPV1 (0.45) ALDH1A1NR1H4KMT2ASMN1; SMN2HTT
SCHEMBL4040005 0.80 KMT2A (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4042732 0.80 NR1H4 (0.44) MAPTALDH1A1NR1H4MEN1KMT2A
SCHEMBL4039101 0.80 NR1H4 (0.44) MAPTALDH1A1NR1H4MEN1KMT2A

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