SCHEMBL4037882

SCHEMBL4037882

CC(C)CC(C)CNC(=O)C(C1CCCCC1)C1(c2ccc(Cl)cc2)Nc2ccccc2N1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR3 P51677 1/20 0.36
MC4R P32245 1/20 0.36
EPHX1 P07099 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
METAP2 P50579 2/20 0.35
NR1H4 Q96RI1 2/20 0.35
MMP3 P08254 3/20 0.34
POLB P06746 1/20 0.34
CCR1 P32246 2/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
REN P00797 1/20 0.33
MMP1 P03956 1/20 0.33
MMP7 P09237 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4043373 0.91 CTSD (0.36) CTSDSMN1; SMN2CCR3MC4REPHX1
SCHEMBL4034789 0.88 ALPL (0.36) CTSDSMN1; SMN2CCR3EPHX1METAP2
SCHEMBL4041182 0.82 BCHE (0.42) EPHX1METAP2REN
SCHEMBL4040798 0.82 EPHX1 (0.47) SMN1; SMN2EPHX1MMP1NPC1RAB9A
SCHEMBL4042732 0.80 NR1H4 (0.44) SMN1; SMN2EPHX1NR1H4POLBNPC1
SCHEMBL4040480 0.80 NR1H4 (0.44) SMN1; SMN2EPHX1NR1H4POLBNPC1
SCHEMBL4044540 0.80 NR1H4 (0.44) SMN1; SMN2EPHX1NR1H4POLBNPC1
SCHEMBL4039101 0.80 NR1H4 (0.44) SMN1; SMN2EPHX1NR1H4POLBNPC1
SCHEMBL4036474 0.80 POLB (0.43) SMN1; SMN2EPHX1NR1H4POLBNPC1
SCHEMBL4034548 0.80 POLB (0.43) SMN1; SMN2EPHX1NR1H4POLBNPC1

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