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Arborinine

Arborinine

SCHEMBL1663913

COc1cc2c(c(O)c1OC)c(=O)c1ccccc1n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 1.00
▸ L3MBTL1 Q9Y468 4/20 0.58
▸ MAPT P10636 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ CTSV O60911 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PABPC1 P11940 1/20 0.47
▸ KDR P35968 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
SCHEMBL12072041 0.77 KDM1A (0.62) KDM1AL3MBTL1MAPTHTTCTSV
SCHEMBL29029143 0.76 KDM1A (0.62) KDM1AL3MBTL1MAPTHTTCTSV
SCHEMBL30486024 0.76 KDM1A (0.62) KDM1AL3MBTL1MAPTHTTCTSV
SCHEMBL424353 0.76 HTT (0.62) KDM1AL3MBTL1MAPTHTTCTSV
SCHEMBL383072 0.75 HTT (0.61) KDM1AL3MBTL1MAPTHTTCTSV
SCHEMBL32681738 0.72 KDM1A (0.56) KDM1AMAPTCTSV
SCHEMBL31265892 0.72 HTT (0.69) KDM1AL3MBTL1MAPTHTTKDM4E
Melicopicine SCHEMBL15941244 0.72 PABPC1 (0.67) KDM1AL3MBTL1MAPTHTTCTSV
SCHEMBL5741498 0.71 KDM4E (0.74) KDM1AMAPTHTTKDM4EALDH1A1
SCHEMBL15071753 0.70 KDM1A (0.54) KDM1AL3MBTL1MAPTHTTKDM4E

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
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 — — WO disclosed
EP-0885192-B8 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2012-05-16 — — EP disclosed
EP-2311806-A2 Dihydropyridine-, pyridine-, benzopyranone- and triazoloquinazoline derivatives, their preparation and their use as adenosine receptor antagonists The United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2011-04-20 — — EP disclosed
EP-2311806-A2 Dihydropyridine-, pyridine-, benzopyranone- and triazoloquinazoline derivatives, their preparation and their use as adenosine receptor antagonists The United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2011-04-20 — — EP disclosed
US-6066642-A FOR SELECTIVELY BLOCKING THE A3 ADENOSINE RECEPTOR OF A MAMMAL THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-05-23 — — US disclosed
EP-0885192-A1 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1998-12-23 — — EP disclosed
WO-1997027177-A2 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN-4-ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-07-31 — — WO disclosed