SCHEMBL8775047

SCHEMBL8775047

O=C1CN=C(C2CCCC2)c2ccccc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.54
GABRA5 P31644 8/20 0.54
GABRA3 P34903 8/20 0.54
GABRA2 P47869 7/20 0.54
GABRB2 P47870 6/20 0.54
GABRG2 P18507 6/20 0.54
GABRB3 P28472 6/20 0.54
GABRP O00591 3/20 0.43
GABRD O14764 3/20 0.43
GABRB1 P18505 3/20 0.43
GABRA4 P48169 3/20 0.43
GABRE P78334 3/20 0.43
GABRA6 Q16445 3/20 0.43
GABRG1 Q8N1C3 3/20 0.43
GABRG3 Q99928 3/20 0.43
GABRQ Q9UN88 3/20 0.43
LMNA P02545 3/20 0.41
PDE4D Q08499 2/20 0.41
CNR1 P21554 1/20 0.41
NTSR1 P30989 1/20 0.41

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
SCHEMBL7597438 0.98 GABRA1 (0.52) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL22605562 0.88 GABRA1 (0.51) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11820041 0.79 CNR1 (0.54) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL21272229 0.76 CHRM1 (0.40) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL8532923 0.74 NOS2 (0.38) LMNATSHRHPGDKMT2AMEN1
SCHEMBL8532921 0.74 NOS2 (0.38) LMNATSHRHPGDKMT2AMEN1
SCHEMBL8726547 0.72 GABRA1 (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL4701849 0.72 NOS2 (0.38) LMNATSHRHPGDKMT2AMEN1
SCHEMBL8537085 0.72 NOS2 (0.38) LMNATSHRHPGDKMT2AMEN1
SCHEMBL8537088 0.72 NOS2 (0.38) LMNATSHRHPGDKMT2AMEN1

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-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed