SCHEMBL10696328

SCHEMBL10696328

Cc1nnc2n1-c1ccc(O)cc1C(c1ccccc1)=NC2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.78
GABRA5 P31644 9/20 0.78
GABRA2 P47869 9/20 0.78
GABRB2 P47870 8/20 0.78
GABRA3 P34903 6/20 0.74
HPGD P15428 4/20 0.74
OPRK1 P41145 3/20 0.74
BRD4 O60885 2/20 0.74
LMNA P02545 2/20 0.74
CNR1 P21554 1/20 0.74
TSHR P16473 1/20 0.57
GABRG2 P18507 1/20 0.57
HTR2A P28223 1/20 0.57
GABRB3 P28472 1/20 0.57
ADRA1A P35348 1/20 0.57
PDE4D Q08499 1/20 0.57
PTAFR P25105 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 1/20 0.51
RECQL P46063 1/20 0.49

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
SCHEMBL14756888 0.88 GABRA1 (0.71) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL29363349 0.88 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL2843721 0.88 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
Alprazolam SCHEMBL5480614 0.85 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
Alprazolam SCHEMBL29381667 0.85 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL2615310 0.85 GABRA1 (0.74) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL8250450 0.85 GABRA1 (0.74) GABRA1GABRA5GABRA2GABRB2GABRA3
Alprazolam SCHEMBL16922178 0.85 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
Alprazolam SCHEMBL8398 0.85 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL14215422 0.85 GABRA1 (0.74) GABRA1GABRA5GABRA2GABRB2GABRA3

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-0255028-A2 1,4-Benzodiazepines, their preparation and use as PAF antagonists BOEHRINGER INGELHEIM KG (DE) 1988-02-03 EP disclosed