SCHEMBL4040060

SCHEMBL4040060

O=C(NC1CCCCC1)C(c1ccc(Cl)c(Cl)c1)C1(c2ccc(Cl)cc2)Nc2ccccc2N1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
CNR1 P21554 7/20 0.44
CNR2 P34972 4/20 0.44
SLC6A3 Q01959 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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 0.92 HRH3 (0.43) CNR1HRH3TSHRNPC1RAB9A
SCHEMBL4038094 0.87 TSHR (0.45) CNR1CNR2HRH3TSHRALDH1A1
SCHEMBL4038946 0.87 OPRL1 (0.41) CNR1CNR2HRH3TSHRNPC1
SCHEMBL4037604 0.85 MDM2 (0.48) LMNACNR1CNR2HRH3TSHR
SCHEMBL4038206 0.84 NPC1 (0.43) LMNATSHRNPC1RAB9AALDH1A1
SCHEMBL4038040 0.83 TSHR (0.38) CNR1HRH3TSHRALDH1A1
SCHEMBL4039550 0.81 LMNA (0.44) LMNACNR1CNR2SLC6A3TSHR
SCHEMBL4042732 0.81 NR1H4 (0.44) HRH3TSHRNPC1RAB9AALDH1A1
SCHEMBL4039101 0.81 NR1H4 (0.44) HRH3TSHRNPC1RAB9AALDH1A1
SCHEMBL4044491 0.81 KMT2A (0.41) CNR1CNR2NPC1RAB9AALDH1A1

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