SCHEMBL7308753

SCHEMBL7308753

CN(C)CC=NC(=O)c1ncn2c1CN=C(c1ccccc1Cl)c1cc(Cl)ccc1-2

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 6/20 0.44
GABRB3 P28472 6/20 0.44
GABRA3 P34903 5/20 0.44
TP53 P04637 2/20 0.44
GABRA5 P31644 4/20 0.42
GABRA1 P14867 3/20 0.42
GABRA2 P47869 3/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
PDE4D Q08499 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRA6 Q16445 1/20 0.42
LMNA P02545 1/20 0.42
GABRB2 P47870 1/20 0.40

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
SCHEMBL7317516 0.83 GABRA3 (0.48) GABRG2GABRB3GABRA3TP53GABRA5
SCHEMBL7353479 0.83 GABRA3 (0.57) GABRG2GABRB3GABRA3TP53GABRA5
SCHEMBL7285884 0.81 GABRA3 (0.47) GABRG2GABRB3GABRA3TP53GABRA5
SCHEMBL7317652 0.80 GABRA3 (0.60) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL11628537 0.80 GABRG2 (0.66) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL7306369 0.75 GABRA1 (0.49) GABRG2GABRB3GABRA3TP53GABRA5
SCHEMBL7350434 0.75 GABRA1 (0.49) GABRG2GABRB3GABRA3TP53GABRA5
SCHEMBL11017220 0.74 GABRG2 (0.50) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL7318749 0.74 GABRG2 (0.53) GABRG2GABRB3GABRA3TP53GABRA5
SCHEMBL7317016 0.73 GABRA1 (0.50) GABRG2GABRB3GABRA3GABRA5GABRA1

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