SCHEMBL9654335

SCHEMBL9654335

Cc1nnc2n1-c1sc(CC(=O)O)cc1C(c1ccccc1Cl)=NC2

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.76
PDE4D Q08499 1/20 0.76
PTAFR P25105 19/20 0.68
CYP3A4 P08684 1/20 0.68
ALOX15 P16050 1/20 0.68

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
SCHEMBL8928418 0.90 PTAFR (0.77) OPRK1PDE4DPTAFRCYP3A4ALOX15
Etizolam SCHEMBL10869413 0.90 OPRK1 (0.90) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9662085 0.89 PTAFR (0.72) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9654262 0.88 PTAFR (0.71) OPRK1PDE4DPTAFRCYP3A4ALOX15
Pyrrole SCHEMBL9661972 0.87 PTAFR (0.72) OPRK1PDE4DPTAFRCYP3A4ALOX15
Etizolam SCHEMBL42920 0.87 OPRK1 (1.00) OPRK1PDE4DPTAFRCYP3A4ALOX15
Etizolam SCHEMBL30665015 0.87 OPRK1 (1.00) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928576 0.87 OPRK1 (0.57) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9542386 0.86 OPRK1 (0.70) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9673303 0.86 OPRK1 (0.79) OPRK1PDE4DPTAFRCYP3A4ALOX15

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-5155103-A Methods of using new thieno-triazole-1,4-diazepino-2-carboxylic acid amides BOEHRINGER INGELHEIM GMBH (DE) 1992-10-13 US disclosed
US-5116971-A Platelt-activating-factor antagonist BOEHRINGER INGELHEIM KG (DE) 1992-05-26 US disclosed
US-5082839-A Platelet activating factor antagonist BOEHRINGER INGELHEIM GMBH (DE) 1992-01-21 US disclosed
US-4968794-A ANTAGONISTS OF PLATELET ACTIVATING FACTOR BOEHRINGER INGELHEIM KG (DE) 1990-11-06 US disclosed
EP-0194416-B1 THIENO-TRIAZOLO-1,4-DIAZEPINO-2-CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM KG (DE) 1989-04-26 EP disclosed