SCHEMBL4038932

SCHEMBL4038932

CCN(CC)c1ccc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
CCR1 P32246 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.36
C3AR1 Q16581 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
GHSR Q92847 1/20 0.35
MEN1 O00255 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
SCHEMBL4037901 0.86 POLB (0.40) SMN1; SMN2CCR1MAPTKMT2AKDM4E
SCHEMBL4041338 0.84 SMN1; SMN2 (0.41) ACKR3SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL4369197 0.83 NPC1 (0.37) ACKR3SMN1; SMN2KMT2AKDM4ETSHR
SCHEMBL4045481 0.82 MDM2 (0.42) ACKR3SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL4044939 0.81 NPC1 (0.46) SMN1; SMN2MAPTKMT2AKDM4ETSHR
SCHEMBL4034826 0.80 GRM5 (0.40) SMN1; SMN2MAPTKMT2AKDM4ETSHR
SCHEMBL4042940 0.79 TSHR (0.45) SMN1; SMN2KMT2AKDM4ETSHRALDH1A1
SCHEMBL4044805 0.78 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ATSHRALDH1A1POLB
SCHEMBL4041915 0.78 SMN1; SMN2 (0.42) SMN1; SMN2CCR1MAPTKMT2AKDM4E
SCHEMBL4755424 0.78 SMN1; SMN2 (0.42) SMN1; SMN2CCR1MAPTKMT2AKDM4E

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 4 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