SCHEMBL10692488

SCHEMBL10692488

CCOC(=O)COc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(C)n1-2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.62
GABRA5 P31644 5/20 0.62
GABRA2 P47869 5/20 0.62
GABRA3 P34903 4/20 0.62
OPRK1 P41145 3/20 0.62
PDE4D Q08499 2/20 0.62
GABRG2 P18507 1/20 0.62
HTR2A P28223 1/20 0.62
GABRB3 P28472 1/20 0.62
ADRA1A P35348 1/20 0.62
PTAFR P25105 9/20 0.60
GABRB2 P47870 4/20 0.60
TSHR P16473 1/20 0.60
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
BRD4 O60885 1/20 0.48
LMNA P02545 1/20 0.48
CNR1 P21554 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL10694252 0.88 GABRA1 (0.58) GABRA1GABRA5GABRA2GABRA3OPRK1
SCHEMBL10695202 0.86 GABRA1 (0.62) GABRA1GABRA5GABRA2GABRA3OPRK1
SCHEMBL9654306 0.86 GABRA1 (0.64) GABRA1GABRA5GABRA2GABRA3OPRK1
SCHEMBL10696323 0.81 GABRA1 (0.66) GABRA1GABRA5GABRA2GABRA3OPRK1
SCHEMBL10691840 0.81 PTAFR (0.68) GABRA1GABRA5GABRA2GABRA3OPRK1
SCHEMBL9653882 0.78 GABRA1 (0.73) GABRA1GABRA5GABRA2GABRA3OPRK1
SCHEMBL10695715 0.78 GABRA1 (0.69) GABRA1GABRA5GABRA2GABRA3OPRK1
SCHEMBL11681893 0.78 GABRA1 (0.69) GABRA1GABRA5GABRA2GABRA3OPRK1
SCHEMBL9653696 0.78 GABRA1 (0.69) GABRA1GABRA5GABRA2GABRA3OPRK1
SCHEMBL10693287 0.78 GABRA1 (0.80) GABRA1GABRA5GABRA2GABRA3OPRK1

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