SCHEMBL4041093

SCHEMBL4041093

O=C(NC1CCCCC1)[C@H]([C@H]1CCCCO1)C1(c2ccc(Cl)cc2)Nc2ccc(F)cc2N1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
POLB P06746 3/20 0.36
HSD11B1 P28845 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 2/20 0.35
KCNH2 Q12809 2/20 0.35
NR1H4 Q96RI1 2/20 0.35
CYP2D6 P10635 1/20 0.35
CNR1 P21554 1/20 0.35
EPHX1 P07099 2/20 0.35
AVPR1A P37288 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL4037949 1.00 RAB9A (0.36) RAB9ANPC1POLBHSD11B1CYP2C9
SCHEMBL4038000 1.00 RAB9A (0.36) RAB9ANPC1POLBHSD11B1CYP2C9
SCHEMBL4037434 0.90 CYP3A4 (0.42) RAB9ANPC1POLBHSD11B1CYP2C9
SCHEMBL4036972 0.89 NPC1 (0.41) RAB9ANPC1POLBHSD11B1CYP2C9
SCHEMBL4036796 0.89 NPC1 (0.41) RAB9ANPC1POLBHSD11B1CYP2C9
SCHEMBL4035395 0.87 NR1H4 (0.42) RAB9ANPC1POLBCYP2C9CYP3A4
SCHEMBL4035519 0.87 NR1H4 (0.42) RAB9ANPC1POLBCYP2C9CYP3A4
SCHEMBL4036666 0.84 RAB9A (0.42) RAB9ANPC1POLBHSD11B1CYP2C9
SCHEMBL4040844 0.80 NR1H4 (0.47) RAB9ANPC1POLBCYP2C9CYP3A4
SCHEMBL4035029 0.80 NR1H4 (0.47) RAB9ANPC1POLBCYP2C9CYP3A4

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