SCHEMBL6629677

SCHEMBL6629677

CCCN1CCN(c2nc3cccc4c3n2CCC4=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 3/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 2/20 0.38
DRD3 P35462 1/20 0.37
SLC2A1 P11166 1/20 0.37

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
Hydrochloric Acid SCHEMBL6507572 0.99 NPSR1 (0.42) NPSR1KDM4EMEN1GAAMAPT
SCHEMBL7257145 0.82 KCNH2 (0.37) NPSR1MEN1MAPTMAPK1KMT2A
SCHEMBL6632841 0.80 MEN1 (0.44) NPSR1KDM4EMEN1MAPTKMT2A
SCHEMBL6630805 0.79 PARP1 (0.43) KDM4EMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL6502264 0.79 MEN1 (0.43) NPSR1KDM4EMEN1MAPTKMT2A
SCHEMBL6630043 0.79 PARP1 (0.38) KDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL6510200 0.78 PARP1 (0.42) KDM4EMAPK1ALDH1A1
SCHEMBL6509219 0.78 GAA (0.41) NPSR1KDM4EMEN1GAAMAPT
Hydrochloric Acid SCHEMBL6503053 0.78 PARP1 (0.38) KDM4EMAPTALDH1A1
SCHEMBL6630480 0.78 MAPT (0.40) NPSR1KDM4EMEN1GAAMAPT

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-1309594-B1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2004-12-15 EP claimed
EP-1309594-B1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2004-12-15 EP disclosed
EP-1309594-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2003-05-14 EP disclosed
WO-2002012239-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-02-14 WO disclosed