SCHEMBL8006913

SCHEMBL8006913

CC(C)(C)NC(=O)CC(Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.47
▸ ACE P12821 2/20 0.47
▸ CPA1 P15085 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ CTNNB1 P35222 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ HRH4 Q9H3N8 1/20 0.46
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ PSMB8 P28062 3/20 0.44
▸ PSMB5 P28074 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.41

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
SCHEMBL10749706 0.84 MME (0.49) MMEACECPA1ACE2CTNNB1
SCHEMBL10389860 0.83 CTNNB1 (0.50) MMEACECPA1ACE2CTNNB1
SCHEMBL7297927 0.83 CTNNB1 (0.50) MMEACECPA1ACE2CTNNB1
SCHEMBL9665093 0.83 CTNNB1 (0.50) MMEACECPA1ACE2CTNNB1
SCHEMBL10520573 0.82 MEN1 (0.53) CTNNB1MAPTHRH4MMP2MMP9
SCHEMBL7288450 0.81 EPHX1 (0.47) MMEACECPA1ACE2CTNNB1
SCHEMBL10338654 0.81 CPA1 (0.57) MMEACECPA1ACE2CTNNB1
SCHEMBL7429100 0.81 CPA1 (0.57) MMEACECPA1ACE2CTNNB1
SCHEMBL9194477 0.81 CPA1 (0.57) MMEACECPA1ACE2CTNNB1
SCHEMBL10519718 0.81 HRH4 (0.52) CPA1CTNNB1MAPTHRH4TDP1

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
CN-1059433-C New arylalkyl (thio) carboxamides, processes for preparing them and pharmacetuical compositions containing them ADIR (FR) 2000-12-13 — — CN claimed
EP-0745584-B1 Arylalkyl(thio) carboxamides compounds with affinity for melatonine receptors, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-01-05 — — EP claimed
US-5721276-A TREATING DISORDERS OF MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-02-24 — — US claimed
CN-1145894-A New arylalkyl (thio) carboxamides, processes for preparing them and pharmacetuical compositions containing them ADIR (FR) 1997-03-26 — — CN claimed
EP-0745584-A1 Arylalkyl(thio) carboxamides compounds with affinity for melatonine receptors, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 — — EP claimed
CN-1059433-C New arylalkyl (thio) carboxamides, processes for preparing them and pharmacetuical compositions containing them ADIR (FR) 2000-12-13 — — CN disclosed
EP-0745584-B1 Arylalkyl(thio) carboxamides compounds with affinity for melatonine receptors, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-01-05 — — EP disclosed
US-5721276-A TREATING DISORDERS OF MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-02-24 — — US disclosed
CN-1145894-A New arylalkyl (thio) carboxamides, processes for preparing them and pharmacetuical compositions containing them ADIR (FR) 1997-03-26 — — CN disclosed
EP-0745584-A1 Arylalkyl(thio) carboxamides compounds with affinity for melatonine receptors, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 — — EP disclosed
EP-0745584-A1 Arylalkyl(thio) carboxamides compounds with affinity for melatonine receptors, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 — — EP disclosed
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 — — US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 — — EP disclosed
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