SCHEMBL7387663

SCHEMBL7387663

O=C(O)CN1Cc2ccccc2CC(NC(=O)C(Cc2ccccc2)SC(=O)c2ccccc2)C1=O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.69
MME P08473 3/20 0.69
HRH4 Q9H3N8 1/20 0.54
OPRM1 P35372 3/20 0.48
OPRD1 P41143 2/20 0.48

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
SCHEMBL7338396 0.90 ACE (0.71) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7443809 0.90 ACE (0.71) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7338418 0.90 ACE (0.71) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7338402 0.90 ACE (0.71) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7346617 0.82 ACE (1.00) ACEMMEHRH4
SCHEMBL7436098 0.82 ACE (1.00) ACEMMEHRH4
SCHEMBL7346611 0.82 ACE (1.00) ACEMMEHRH4
SCHEMBL7346605 0.82 ACE (1.00) ACEMMEHRH4
SCHEMBL7344771 0.81 ACE (0.79) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7344775 0.81 ACE (0.79) ACEMMEHRH4OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750631-B1 NOVEL MERCAPTOACETYLAMIDO 1,3,4,5-TETRAHYDRO-BENZO(C)AZEPIN-3-ONE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMA INC (US) 2000-04-05 EP disclosed
EP-0750631-A1 NOVEL MERCAPTOACETYLAMIDO 1,3,4,5-TETRAHYDRO-BENZO(C)AZEPIN-3-ONE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1997-01-02 EP disclosed
WO-1995021854-A1 NOVEL MERCAPTOACETYLAMIDO 1,3,4,5-TETRAHYDRO-BENZO[C]AZEPIN-3-ONE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1995-08-17 WO disclosed