SCHEMBL7316464

SCHEMBL7316464

Cc1nc(C(=O)n2ccnc2)c2n1-c1ccc([N+](=O)[O-])cc1C(c1ccccc1)=NC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
BRD4 O60885 2/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
HPGD P15428 2/20 0.40
PDE4D Q08499 1/20 0.40
CHRM1 P11229 1/20 0.40
GABRA1 P14867 7/20 0.38
GABRA5 P31644 7/20 0.38
GABRA3 P34903 5/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA2 P47869 6/20 0.38
GABRB2 P47870 5/20 0.38
OPRK1 P41145 3/20 0.38
CNR1 P21554 1/20 0.38
CCKBR P32239 1/20 0.38
MC3R P41968 1/20 0.38
GHSR Q92847 1/20 0.38
GABRA4 P48169 2/20 0.36

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
SCHEMBL7308087 0.86 LMNA (0.58) LMNABRD4BRD2BRD3HPGD
SCHEMBL7316606 0.81 LMNA (0.52) LMNABRD4BRD2BRD3HPGD
Imidazole SCHEMBL7316456 0.81 LMNA (0.51) LMNABRD4BRD2BRD3HPGD
SCHEMBL7306642 0.76 GABRA1 (0.48) LMNAPDE4DGABRA1GABRA5GABRA3
SCHEMBL7313820 0.74 GABRA1 (0.48) LMNAPDE4DGABRA1GABRA5GABRA3
SCHEMBL7310152 0.73 OPRK1 (0.60) LMNABRD4HPGDPDE4DGABRA1
SCHEMBL7318178 0.73 LMNA (0.62) LMNABRD4BRD2BRD3HPGD
SCHEMBL7324713 0.72 GABRA1 (0.67) LMNABRD4BRD2BRD3HPGD
SCHEMBL29407473 0.72 GABRA1 (0.67) LMNABRD4BRD2BRD3HPGD
SCHEMBL7308179 0.72 OPRK1 (0.56) LMNABRD4HPGDPDE4DGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0109921-B1 BENZODIAZEPINE RECEPTORS AND THEIR PREPARATION A/S FERROSAN (DK) 1988-03-02 EP disclosed
US-4507313-A Oxadiazolyl-imidazo-[1,4]benzodiazepines and their use in treatment of diseases of the central nervous system A/S FERROSAN (DK) 1985-03-26 US disclosed
EP-0109921-A1 Benzodiazepine receptors and their preparation A/S FERROSAN (DK) 1984-05-30 EP disclosed