SCHEMBL10375196

SCHEMBL10375196

Cc1nnc2n1-c1sc(C(O)Cc3ccccc3)cc1C(c1ccccc1Cl)=NC2

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 19/20 0.65
OPRK1 P41145 1/20 0.65
PDE4D Q08499 1/20 0.65
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL9667536 0.87 PTAFR (0.70) PTAFROPRK1PDE4D
SCHEMBL9839073 0.85 PTAFR (0.71) PTAFROPRK1PDE4D
SCHEMBL8928754 0.85 PTAFR (0.73) PTAFROPRK1PDE4D
SCHEMBL10514192 0.84 OPRK1 (0.62) PTAFROPRK1PDE4D
SCHEMBL10375810 0.84 PTAFR (0.66) PTAFROPRK1PDE4D
SCHEMBL8928417 0.84 PTAFR (0.66) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10446360 0.84 PTAFR (0.74) PTAFROPRK1PDE4D
SCHEMBL9673303 0.82 OPRK1 (0.79) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9674052 0.82 PTAFR (0.84) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928433 0.81 PTAFR (0.79) PTAFROPRK1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0387613-A1 Thienodiazepines BOEHRINGER INGELHEIM KG (DE) 1990-09-19 EP disclosed