SCHEMBL7303484

SCHEMBL7303484

N#Cc1ccc(OCCn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 1.00
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
MAPK1 P28482 1/20 0.68
NOS1 P29475 1/20 0.63
CACNA1B Q00975 1/20 0.63
LTA4H P09960 1/20 0.62
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
CYP19A1 P11511 1/20 0.59
CYP11B1 P15538 1/20 0.59
CYP11B2 P19099 1/20 0.59

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
SCHEMBL7296483 0.93 TBXAS1 (0.86) TBXAS1KDM4ENOS1CACNA1BKMT2A
SCHEMBL8995313 0.85 TBXAS1 (0.74) TBXAS1KDM4EALDH1A1MAPK1NOS1
SCHEMBL8687327 0.85 TBXAS1 (1.00) TBXAS1KDM4EALDH1A1MAPK1NOS1
SCHEMBL7873899 0.84 TBXAS1 (0.72) TBXAS1KDM4ENOS1CACNA1BKMT2A
Hydrochloric Acid SCHEMBL10751578 0.84 TBXAS1 (0.97) TBXAS1KDM4EALDH1A1MAPK1NOS1
Hydrochloric Acid SCHEMBL7875269 0.83 TBXAS1 (0.70) TBXAS1KDM4ENOS1CACNA1BKMT2A
SCHEMBL24414559 0.83 TBXAS1 (0.71) TBXAS1KDM4EALDH1A1MAPK1LMNA
SCHEMBL305632 0.81 ALDH1A1 (0.72) TBXAS1KDM4EALDH1A1MAPK1NOS1
SCHEMBL8690248 0.81 KMT2A (0.83) TBXAS1KDM4EALDH1A1MAPK1NOS1
SCHEMBL8684965 0.81 MAPK1 (1.00) TBXAS1KDM4EALDH1A1MAPK1NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US claimed
WO-1999002532-A2 PARTIALLY HYDROGENATED POLYCYCLIC COMPOUNDS NOVARTIS AG (CH) 1999-01-21 WO disclosed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed
EP-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP disclosed
US-5356916-A Treating Parkinson*s disease WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 US disclosed
US-4636500-A N-(phenoxyalkyl)imidazoles as selective inhibitors of the thromboxane synthetase enzyme and pharmaceutical compositions thereof PFIZER INC. (US) 1987-01-13 US disclosed
US-4602016-A N-(phenoxyalkyl)imidazoles as selective inhibitors of the thromboxane synthetase enzyme and pharmaceutical compositions thereof PFIZER INC. (US) 1986-07-22 US disclosed