SCHEMBL7420731

SCHEMBL7420731

COc1ccccc1NC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HTT P42858 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.55
PKM P14618 1/20 0.53
MAPT P10636 1/20 0.53
NPBWR1 P48145 1/20 0.53
MCHR1 Q99705 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL1484111 0.85 KDM4E (0.63) KMT2AMEN1L3MBTL1HTTNPSR1
SCHEMBL25248863 0.83 HTT (0.59) HTTNPSR1LMNAMAPK1MAPT
SCHEMBL451742 0.83 LMNA (0.62) KMT2AL3MBTL1HTTNPSR1LMNA
SCHEMBL21458564 0.82 NPSR1 (0.54) KMT2AMEN1L3MBTL1HTTNPSR1
SCHEMBL7609440 0.82 HTT (0.58) KMT2AMEN1L3MBTL1HTTNPSR1
SCHEMBL7616103 0.80 NPSR1 (0.62) KMT2AMEN1HTTNPSR1LMNA
SCHEMBL7613630 0.80 NPSR1 (0.75) HTTNPSR1LMNAMAPK1MAPT
SCHEMBL7315510 0.79 KDM1A (0.67) KMT2AHTTNPSR1LMNAMAPK1
SCHEMBL11276327 0.79 CA1 (0.52) KMT2AMEN1L3MBTL1HTTLMNA
SCHEMBL9594659 0.79 ALDH1A1 (0.62) KMT2AMEN1HTTNPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080768-A USEFUL IN THE TREATMENT OF ARTERIAL HYPERTENSION AND HEART FAILURE, RENAL INSUFFICIENCY, PERIPHERAL ARTERIOPATHIES AND CEREBROVASCULAR INSUFFICIENCIES ZAMBON GROUP S.P.A. (IT) 2000-06-27 US disclosed
US-5747513-A HYPOTENSIVE AGENTS, HEART FAILURE AND CEREBROVASCULAR INSUFFICIENCY ZAMBON GROUP, S.P.A. (IT) 1998-05-05 US disclosed
EP-0719252-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 1998-02-18 EP disclosed
EP-0719252-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1996-07-03 EP disclosed
WO-1995007885-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1995-03-23 WO disclosed