SCHEMBL4034460

SCHEMBL4034460

O=C(NC1CCCCC1)C(C1CCCCC1)C1(c2cc(Cl)ccc2Cl)Nc2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
NPC1 O15118 3/20 0.41
MDM2 Q00987 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
EPHX2 P34913 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EPHX1 P07099 1/20 0.40
TSHR P16473 1/20 0.40
METAP2 P50579 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
METAP1 P53582 1/20 0.39

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
SCHEMBL4039445 0.92 CNR1 (0.42) RAB9ACNR1CNR2NPC1MDM2
SCHEMBL4044499 0.92 CNR1 (0.42) RAB9ACNR1CNR2NPC1MDM2
SCHEMBL4037704 0.90 TSHR (0.41) RAB9ANPC1MDM2LMNAEPHX2
SCHEMBL4045207 0.90 NPC1 (0.46) RAB9ANPC1LMNAEPHX2KMT2A
SCHEMBL4044809 0.87 NPC1 (0.46) RAB9ACNR1CNR2NPC1LMNA
SCHEMBL4042732 0.84 NR1H4 (0.44) RAB9ANPC1MDM2MEN1KMT2A
SCHEMBL4039101 0.84 NR1H4 (0.44) RAB9ANPC1MDM2MEN1KMT2A
SCHEMBL4040656 0.84 LMNA (0.45) RAB9ACNR1CNR2NPC1LMNA
SCHEMBL4038088 0.83 RAB9A (0.44) RAB9ACNR1NPC1TDP1LMNA
SCHEMBL4038304 0.83 RAB9A (0.44) RAB9ACNR1NPC1TDP1LMNA

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