SCHEMBL9669241

SCHEMBL9669241

Cc1nnc2n1-c1sc(CCCN3CCOCC3)cc1C(c1ccc(Cl)cc1)=NC2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 17/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
OPRK1 P41145 2/20 0.52
PDE4D Q08499 1/20 0.52
BRD4 O60885 2/20 0.48
LMNA P02545 1/20 0.44
GABRA1 P14867 1/20 0.44
HPGD P15428 1/20 0.44
CNR1 P21554 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44

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
SCHEMBL9667471 0.88 PTAFR (0.72) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9669277 0.87 PTAFR (0.62) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9668068 0.85 PTAFR (0.71) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9670207 0.84 PTAFR (0.70) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9667557 0.84 PTAFR (0.49) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL10465293 0.84 PTAFR (0.62) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9522870 0.84 PTAFR (0.62) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9669103 0.83 PTAFR (0.60) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9668954 0.82 PTAFR (0.74) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL8878960 0.82 OPRK1 (0.74) PTAFRCYP3A4ALOX15OPRK1PDE4D

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-0230942-B1 THIENO-1,4-DIAZEPINES BOEHRINGER INGELHEIM KG (DE) 1992-04-29 EP disclosed
US-4900729-A PLATELET ACTIVATING FACTOR ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1990-02-13 US disclosed
EP-0230942-A2 Thieno-1,4-diazepines BOEHRINGER INGELHEIM KG (DE) 1987-08-05 EP disclosed