SCHEMBL6970345

SCHEMBL6970345

O=C(Cc1ccc(CCc2c[nH]cn2)cc1)OCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 4/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 3/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.37
KLK7 P49862 1/20 0.37
DAO P14920 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL6971280 0.90 L3MBTL1 (0.44) ALDH1A1L3MBTL1POLBMAPTTSHR
SCHEMBL6972503 0.90 MEN1 (0.43) ALDH1A1L3MBTL1MAPK1POLBMAPT
SCHEMBL6958769 0.89 POLB (0.45) ALDH1A1L3MBTL1MAPK1POLBMAPT
SCHEMBL6964272 0.85 KMT2A (0.49) ALDH1A1L3MBTL1MAPK1MAPTMEN1
SCHEMBL6962441 0.85 KMT2A (0.49) ALDH1A1L3MBTL1MAPK1MAPTMEN1
SCHEMBL6972709 0.83 NPC1 (0.52) POLBMAPTMEN1KMT2ANPC1
SCHEMBL6972584 0.82 L3MBTL1 (0.43) ALDH1A1L3MBTL1POLBMAPTTSHR
SCHEMBL6971039 0.82 MEN1 (0.43) ALDH1A1L3MBTL1POLBMAPTMEN1
SCHEMBL9034160 0.82 MAOB (0.40) ALDH1A1L3MBTL1NPC1DAOLMNA
SCHEMBL9080811 0.81 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPK1POLBMAPT

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-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP disclosed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO disclosed