SCHEMBL4037071

SCHEMBL4037071

O=C(NC1CCCCC1)C(C1CCCCC1)C1(c2ccc3ccccc3c2)Nc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.46
FAAH O00519 1/20 0.46
METAP2 P50579 3/20 0.44
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
HTT P42858 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
HTR1E P28566 1/20 0.41
S1PR3 Q99500 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4039515 0.90 EPHX1 (0.44) EPHX1FAAHNPC1KMT2AMEN1
SCHEMBL4040697 0.87 NPC1 (0.44) MAPTNPC1HTTKMT2AMEN1
SCHEMBL4042940 0.86 TSHR (0.45) EPHX1METAP2NPC1HTTKMT2A
SCHEMBL4040656 0.86 LMNA (0.45) MAPTNPC1HTTKMT2ALMNA
SCHEMBL4039067 0.86 NPC1 (0.44) EPHX1NPC1HTTKMT2AMEN1
SCHEMBL4038973 0.84 NPC1 (0.46) NPC1HTTKMT2AMEN1SMN1; SMN2
SCHEMBL4041199 0.84 SMN1; SMN2 (0.47) EPHX1NPC1HTTKMT2ALMNA
SCHEMBL4037703 0.84 TRPV1 (0.45) EPHX1FAAHNPC1HTTKMT2A
SCHEMBL4042732 0.84 NR1H4 (0.44) EPHX1MAPTNPC1HTTKMT2A
SCHEMBL4040005 0.84 KMT2A (0.43) EPHX1NPC1HTTKMT2ALMNA

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