SCHEMBL4037032

SCHEMBL4037032

N#Cc1ccc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NR1H4 Q96RI1 1/20 0.41
EPHX1 P07099 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX2 P34913 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL4034837 0.85 NPC1 (0.48) TSHRNPC1RAB9ANR1H4EPHX1
SCHEMBL4039455 0.84 KMT2A (0.48) TSHRNPC1RAB9AKMT2AMEN1
SCHEMBL4044228 0.84 TSHR (0.41) TSHRNPC1RAB9ANR1H4EPHX1
SCHEMBL4044511 0.81 EPHX2 (0.47) TSHRNPC1RAB9AKMT2AMEN1
SCHEMBL4041108 0.81 NPC1 (0.46) TSHRNPC1RAB9AEPHX1KMT2A
SCHEMBL4039445 0.80 CNR1 (0.42) TSHRNPC1RAB9ANR1H4EPHX1
SCHEMBL4044809 0.80 NPC1 (0.46) TSHRNPC1RAB9ANR1H4KMT2A
SCHEMBL4044499 0.80 CNR1 (0.42) TSHRNPC1RAB9ANR1H4EPHX1
SCHEMBL4044888 0.79 KMT2A (0.45) TSHRNPC1RAB9AKMT2AMEN1
SCHEMBL4041113 0.79 NPC1 (0.40) TSHRNPC1RAB9ANR1H4KMT2A

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