SCHEMBL9380344

SCHEMBL9380344

Cc1nnc2n1-c1ccc(C#CCN3C(=O)c4cccc5cccc(c45)C3=O)cc1C(c1ccccc1Cl)=NC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 17/20 1.00
GABRA1 P14867 3/20 0.63
GABRA5 P31644 3/20 0.63
GABRA3 P34903 3/20 0.63
GABRA2 P47869 3/20 0.63
GABRB2 P47870 2/20 0.63
GABRG2 P18507 1/20 0.57
HTR2A P28223 1/20 0.57
GABRB3 P28472 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRK1 P41145 1/20 0.57
PDE4D Q08499 1/20 0.57
TSHR P16473 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
SCHEMBL9379492 0.94 PTAFR (1.00) PTAFRGABRA1GABRA5GABRA3GABRA2
SCHEMBL9383726 0.91 PTAFR (0.88) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL9382835 0.88 PTAFR (0.86) PTAFRGABRA1GABRA5GABRA3GABRA2
SCHEMBL9379172 0.85 PTAFR (1.00) PTAFR
SCHEMBL9378749 0.84 PTAFR (0.79) PTAFRGABRA1GABRA5GABRA3GABRA2
SCHEMBL9382741 0.83 PTAFR (1.00) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL9380462 0.82 PTAFR (0.71) PTAFRGABRA1GABRA5GABRA3GABRA2
SCHEMBL9379311 0.81 PTAFR (1.00) PTAFR
SCHEMBL9386163 0.80 PTAFR (0.72) PTAFRGABRA1GABRA5GABRA3GABRA2
SCHEMBL9379179 0.79 PTAFR (0.70) PTAFRGABRA1GABRA5GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320992-B1 Triazolodiazepine derivatives HOFFMANN LA ROCHE (CH) 1994-07-27 EP disclosed
US-4959361-A Triazolo(4,3-A)(1,4)benzodiazepines and thieno (3,2-F)(1,2,4)triazolo(4,3-A)(1,4)diazepine compounds which have useful activity as platelet activating factor (PAF) antagonists HOFFMANN-LA ROCHE INC. (US) 1990-09-25 US disclosed