SCHEMBL4037901

SCHEMBL4037901

CCN(CC)c1ccc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.38
TSHR P16473 4/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
CCR1 P32246 1/20 0.37
MEN1 O00255 1/20 0.37
GHSR Q92847 3/20 0.37
EPHX1 P07099 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4044939 0.86 NPC1 (0.46) POLBRAB9ASMN1; SMN2KMT2ATSHR
SCHEMBL4038932 0.86 ACKR3 (0.42) POLBSMN1; SMN2KMT2ATSHRALDH1A1
SCHEMBL4042940 0.85 TSHR (0.45) POLBRAB9ASMN1; SMN2KMT2ATSHR
SCHEMBL4034540 0.83 DHODH (0.46) RAB9ASMN1; SMN2KMT2ATSHRALDH1A1
SCHEMBL4040671 0.83 NPC1 (0.45) RAB9ASMN1; SMN2KMT2ATSHRPKM
SCHEMBL4041915 0.83 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2KMT2ATSHRALDH1A1
SCHEMBL4041199 0.83 SMN1; SMN2 (0.47) POLBRAB9ASMN1; SMN2KMT2ATSHR
SCHEMBL4755424 0.83 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2KMT2ATSHRALDH1A1
SCHEMBL4040005 0.83 KMT2A (0.43) RAB9ASMN1; SMN2KMT2ATSHRALDH1A1
SCHEMBL4042732 0.83 NR1H4 (0.44) POLBRAB9ASMN1; SMN2KMT2ATSHR

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