SCHEMBL4038946

SCHEMBL4038946

O=C(NC1CCCCC1)C(c1cccc(F)c1)C1(c2ccc(Cl)cc2)Nc2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 5/20 0.39
CNR2 P34972 3/20 0.39
TSHR P16473 2/20 0.38
GRM5 P41594 3/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL4044209 0.88 HRH3 (0.43) NPC1RAB9ASMN1; SMN2CNR1TSHR
SCHEMBL4044491 0.87 KMT2A (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4040060 0.87 LMNA (0.48) NPC1RAB9ACNR1CNR2TSHR
SCHEMBL4038206 0.86 NPC1 (0.43) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL4038094 0.83 TSHR (0.45) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL4037604 0.83 MDM2 (0.48) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL4042732 0.82 NR1H4 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4039101 0.82 NR1H4 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4038040 0.81 TSHR (0.38) MEN1KMT2ASMN1; SMN2CNR1TSHR
SCHEMBL4044540 0.80 NR1H4 (0.44) NPC1RAB9ASMN1; SMN2HRH3

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