SCHEMBL7400820

SCHEMBL7400820

COc1ccc(Br)c(OCc2ccccc2)c1.[MgH2]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.57
ABCB1 P08183 5/20 0.52
HTR1A P08908 2/20 0.52
DRD2 P14416 2/20 0.52
HDAC8 Q9BY41 1/20 0.51
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
LRRK2 Q5S007 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL7390468 0.98 MAOB (0.58) MAOBABCB1HTR1ADRD2HDAC8
SCHEMBL31525501 0.98 MAOB (0.58) MAOBABCB1HTR1ADRD2HDAC8
SCHEMBL30994898 0.88 MAOB (0.46) MAOBABCB1HTR1ADRD2HDAC8
SCHEMBL18623184 0.87 MAOB (0.60) MAOBABCB1HTR1ADRD2HDAC8
SCHEMBL615020 0.87 MAOB (0.59) MAOBGAASMN1; SMN2MAPTRAB9A
SCHEMBL30628889 0.87 MAOB (0.59) MAOBGAASMN1; SMN2MAPTRAB9A
SCHEMBL6119729 0.86 MAOB (0.58) MAOBGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL31725937 0.86 MAOB (0.58) MAOBGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL6953592 0.85 L3MBTL1 (0.48) MAOBABCB1HTR1ADRD2HDAC8
SCHEMBL25173929 0.84 MAOB (0.55) MAOBABCB1HDAC8SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612244-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-09-19 EP disclosed
EP-0650484-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-01-26 EP disclosed
US-5929106-A VASODILATOR; HYPOTENSIVE AGENT SMITHKLINE BEECHAM CORPORATION (US) 1999-07-27 US disclosed
EP-0768878-A4 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-02-17 EP disclosed
US-5736564-A DIHYDROISOINDOLE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1998-04-07 US disclosed
EP-0768878-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-23 EP disclosed
US-5559105-A ANTAGONIST FOR ENDOTHELIN RECEPTORS, HYPOTENSIVE AGENTS, TREATMENT OF KIDNEY FAILURE OR CEREBROVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1996-09-24 US disclosed
WO-1995035107-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-28 WO disclosed
EP-0612244-A4 ENDOTHELIN RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1995-05-17 EP disclosed
EP-0650484-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-05-03 EP disclosed
EP-0612244-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-08-31 EP disclosed
WO-1994002474-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-02-03 WO disclosed
WO-1993008799-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-13 WO disclosed