SCHEMBL6656878

SCHEMBL6656878

O=C1CCn2c(N3CCN(c4ccc(OCc5ccccc5)cc4)CC3)nc3cccc1c32

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 6/20 0.43
LMNA P02545 2/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MGLL Q99685 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
PRKDC P78527 1/20 0.38
GRM5 P41594 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
Ethylene SCHEMBL6503293 0.98 MAPT (0.44) ALDH1A1HTTKDM4ETSHRHSD17B10
SCHEMBL6631403 0.83 MAPT (0.45) ALDH1A1HTTKDM4ETSHRHSD17B10
SCHEMBL6509219 0.82 GAA (0.41) ALDH1A1HTTKDM4ETSHRHSD17B10
Hydrochloric Acid SCHEMBL6505881 0.79 MAPT (0.39) ALDH1A1HTTKDM4ETSHRHSD17B10
SCHEMBL6505984 0.77 PARP1 (0.36) ALDH1A1HTTKDM4ETSHRHSD17B10
SCHEMBL6631361 0.76 HDAC6 (0.46) ALDH1A1HTTKDM4ETSHRHSD17B10
SCHEMBL7262771 0.75 AVPR1A (0.43)
SCHEMBL6503698 0.74 GFER (0.48) ALDH1A1HTTKDM4EMAPTLMNA
SCHEMBL6630805 0.73 PARP1 (0.43) ALDH1A1HTTKDM4EHSD17B10TDP1
SCHEMBL6629677 0.73 NPSR1 (0.40) ALDH1A1KDM4EMAPTMAPK1NPSR1

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 3 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 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