SCHEMBL4043390

SCHEMBL4043390

CCCCC(C(=O)NCCC)C1(c2cccc(C#N)c2)Nc2ccccc2N1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EHMT2 Q96KQ7 1/20 0.35
TBXA2R P21731 2/20 0.34
MGLL Q99685 1/20 0.33
FOLH1 Q04609 1/20 0.33
RORC P51449 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
HSD11B1 P28845 1/20 0.33
ADORA2A P29274 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
SCHEMBL4043928 0.79 L3MBTL1 (0.35) L3MBTL1POLBALDH1A1
SCHEMBL4041615 0.75 CNR1 (0.41) POLBPKMALDH1A1FOLH1GPR139
SCHEMBL4039484 0.74 CNR1 (0.37) L3MBTL1POLBALDH1A1
SCHEMBL4039204 0.73 TSHR (0.43) POLBALDH1A1
SCHEMBL4044238 0.71 CTSD (0.42) ALDH1A1
SCHEMBL4037580 0.70 TSHR (0.40) POLBALDH1A1
SCHEMBL3572126 0.64 MRGPRX1 (0.42) ALDH1A1
SCHEMBL12988864 0.64 L3MBTL1 (0.63) L3MBTL1POLBNAMPTALDH1A1GPR139
SCHEMBL6359399 0.62 SMN1; SMN2 (0.72) L3MBTL1NAMPTALDH1A1MGLLGPR139
SCHEMBL12471715 0.62 ADRA2C (0.40) POLBPKMALDH1A1HSD11B1ADORA2A

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