SCHEMBL9421185

SCHEMBL9421185

Cc1nnc2n1-c1sc(CCC(N)=O)cc1C(c1ccccc1Cl)=NC2

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 19/20 0.75
CYP3A4 P08684 1/20 0.75
ALOX15 P16050 1/20 0.75
OPRK1 P41145 1/20 0.72
PDE4D Q08499 1/20 0.72

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 0.92 PTAFR (0.77) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9661351 0.90 PTAFR (0.74) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9661918 0.89 PTAFR (0.73) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL8928557 0.89 PTAFR (0.73) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9421189 0.88 PTAFR (0.72) PTAFRCYP3A4ALOX15OPRK1PDE4D
Pyrrole SCHEMBL9661972 0.88 PTAFR (0.72) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9662085 0.88 PTAFR (0.72) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9661967 0.88 PTAFR (0.87) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9654262 0.87 PTAFR (0.71) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9662015 0.87 PTAFR (0.70) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345931-B1 CERTAIN PAF ANTAGONIST/ANTIHISTAMINE COMBINATIONS AND METHODS SCHERING CORPORATION (US) 1993-01-20 EP claimed
EP-0402422-A1 CERTAIN PAF ANTAGONIST ANTIHISTAMINE COMBINATIONS AND METHODS SCHERING CORPORATION (US) 1990-12-19 EP claimed
WO-1989010143-A1 CERTAIN PAF ANTAGONIST ANTIHISTAMINE COMBINATIONS AND METHODS SCHERING CORPORATION (US) 1989-11-02 WO claimed
US-5334592-A Administering for allergic reactions; thienotriazolodiazepine compounds SCHERING CORPORATION (US) 1994-08-02 US disclosed
EP-0345931-B1 CERTAIN PAF ANTAGONIST/ANTIHISTAMINE COMBINATIONS AND METHODS SCHERING CORPORATION (US) 1993-01-20 EP disclosed
EP-0402422-A1 CERTAIN PAF ANTAGONIST ANTIHISTAMINE COMBINATIONS AND METHODS SCHERING CORPORATION (US) 1990-12-19 EP disclosed
WO-1989010143-A1 CERTAIN PAF ANTAGONIST ANTIHISTAMINE COMBINATIONS AND METHODS SCHERING CORPORATION (US) 1989-11-02 WO disclosed