SCHEMBL8308243

SCHEMBL8308243

COc1ccc(C(=O)N(C)CC(CCO)c2ccc(C)c(C)c2)c(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
PDE4D Q08499 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
AOC3 Q16853 1/20 0.33
CHRNA7 P36544 1/20 0.33
HSP90AA1 P07900 2/20 0.33
TUBB1 Q9H4B7 3/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL6596199 0.85 L3MBTL1 (0.43) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL6596708 0.73 L3MBTL1 (0.40) L3MBTL1ALDH1A1KMT2ALMNAMAPK1
SCHEMBL6596594 0.73 TACR2 (0.48) PDE4D
SCHEMBL6595201 0.72 TACR2 (0.50)
SCHEMBL6597387 0.71 LMNA (0.45) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL6596311 0.71 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ALDH1A1GAATUBB1
SCHEMBL6594371 0.70 ACKR3 (0.45) SMN1; SMN2L3MBTL1ALDH1A1PDE4DMEN1
SCHEMBL6594635 0.70 L3MBTL1 (0.39) L3MBTL1GAAPDE4DKMT2ATUBB1
SCHEMBL6595256 0.69 TUBB4A (0.42) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL8307825 0.68 L3MBTL1 (0.39) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888338-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
WO-1997030991-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed