SCHEMBL4044209

SCHEMBL4044209

O=C(NC1CCCCC1)C(c1ccc(Cl)cc1)C1(c2ccc(Cl)cc2)Nc2ccccc2N1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 3/20 0.42
EPHX1 P07099 3/20 0.42
CNR1 P21554 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
NR1H4 Q96RI1 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
SCHEMBL4038094 0.95 TSHR (0.45) HRH3TSHRALDH1A1CNR1SMN1; SMN2
SCHEMBL4037604 0.92 MDM2 (0.48) HRH3TSHRALDH1A1EPHX1CNR1
SCHEMBL4040060 0.92 LMNA (0.48) HRH3TSHRALDH1A1CNR1NPC1
SCHEMBL4038040 0.91 TSHR (0.38) HRH3TSHRALDH1A1CNR1SMN1; SMN2
SCHEMBL4038946 0.88 OPRL1 (0.41) HRH3TSHRCNR1SMN1; SMN2NPC1
SCHEMBL4042732 0.86 NR1H4 (0.44) HRH3TSHRALDH1A1EPHX1SMN1; SMN2
SCHEMBL4039101 0.86 NR1H4 (0.44) HRH3TSHRALDH1A1EPHX1SMN1; SMN2
SCHEMBL4038206 0.86 NPC1 (0.43) TSHRALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL4044540 0.84 NR1H4 (0.44) HRH3ALDH1A1EPHX1SMN1; SMN2POLB
SCHEMBL4040480 0.84 NR1H4 (0.44) HRH3ALDH1A1EPHX1SMN1; SMN2POLB

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