SCHEMBL4040656

SCHEMBL4040656

O=C(NC1CCCCC1)C(C1CCCCC1)C1(c2ccc(Cl)c(Cl)c2)Nc2ccccc2N1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
TSHR P16473 4/20 0.39
SLC6A3 Q01959 2/20 0.39
KMT2A Q03164 5/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4039550 0.92 LMNA (0.44) LMNANPC1RAB9ACNR1CNR2
SCHEMBL4039953 0.92 NPC1 (0.40) LMNANPC1RAB9ACNR1CNR2
SCHEMBL4044551 0.92 CYP3A4 (0.42) LMNANPC1RAB9ACNR1CNR2
SCHEMBL4037291 0.89 EPHX2 (0.39) LMNANPC1RAB9ACNR1SMN1; SMN2
SCHEMBL4040352 0.88 KMT2A (0.44) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL4037528 0.88 KMT2A (0.44) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL4042732 0.88 NR1H4 (0.44) NPC1RAB9ASMN1; SMN2TSHRKMT2A
SCHEMBL4039101 0.88 NR1H4 (0.44) NPC1RAB9ASMN1; SMN2TSHRKMT2A
SCHEMBL4038748 0.86 LMNA (0.44) LMNANPC1RAB9ACNR1CNR2
SCHEMBL4041511 0.86 LMNA (0.44) LMNANPC1RAB9ACNR1CNR2

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