SCHEMBL7313820

SCHEMBL7313820

Cc1nc(C(N)=O)c2n1-c1ccc([N+](=O)[O-])cc1C(c1ccccc1Cl)=NC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.48
GABRA5 P31644 6/20 0.48
GABRA3 P34903 6/20 0.48
GABRA2 P47869 5/20 0.48
GABRG2 P18507 4/20 0.48
GABRB3 P28472 4/20 0.48
GABRB2 P47870 4/20 0.48
ADRA1A P35348 2/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
OPRK1 P41145 2/20 0.44
CCKBR P32239 1/20 0.44
MC3R P41968 1/20 0.44

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
SCHEMBL7306642 0.92 GABRA1 (0.48) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL7313038 0.88 GABRA3 (0.45) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL7312917 0.87 GABRA1 (0.59) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL11016146 0.86 GABRA1 (0.45) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL7308087 0.81 LMNA (0.58) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL11508238 0.80 GABRA1 (0.53) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL7314894 0.78 GABRA1 (0.60) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL11681332 0.78 GABRA1 (0.72) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL1313752 0.78 GABRA1 (0.60) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL29392983 0.78 GABRA1 (0.72) GABRA1GABRA5GABRA3GABRA2GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4440685-A MUSCLE RELAXANTS, SEDATIVES, ANTICONVULSANTS HOFFMANN-LA ROCHE INC. (US) 1984-04-03 US disclosed
US-4425272-A ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1984-01-10 US disclosed
US-4401597-A INTERMEDIATES FOR ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVE AND ANXIOLYTICS HOFFMANN-LA ROCHE INC. (US) 1983-08-30 US disclosed
US-4390471-A INTERMEDIATES FOR IMIDOBENZODIAZEPINE AND ANALOGS HOFFMANN-LA ROCHE INC. (US) 1983-06-28 US disclosed
US-4377523-A Imidazodiazepines and processes therefor HOFFMANN-LA ROCHE INC. (US) 1983-03-22 US disclosed
US-4376075-A REACTION OF AN AMINODERIVATIVE THEREOF WITH AN ALDEHYDE HOFFMANN-LA ROCHE INC. (US) 1983-03-08 US disclosed
US-4376074-A ANTICONVULSANTS, MUSCLE RELAXANTS AND SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-03-08 US disclosed
US-4371468-A ANTICONVULSANTS, MUSCLE RELAXANTS, AND SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-02-01 US disclosed
US-4368157-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 US disclosed
US-4368158-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 US disclosed
US-4368159-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 US disclosed
US-4349477-A IMIPAZO/1,5-A//1,4/BENZO-, THIENO- OR PYRAZOLODIAZEPINES FROM 2-DIMORPHOLINOPHOSPHONATES OF BENZO-, THIENO- OR PYRAZOLODIAZEPINES HOFFMANN-LA ROCHE INC. (US) 1982-09-14 US disclosed
US-4349476-A IMIDAZO/1,5-A//1,4) BENZO-, THIENO-, OR PYRAZOLODIAZEPINES FROM DERIVATIVES OF BENZO-, THIENO- OR PYRAZOLODIAZEPINE HOFFMANN-LA ROCHE INC. (US) 1982-09-14 US disclosed
US-4349475-A IMIDAZO/1,5-A//1,4/BENZO-, THIENO-, OR PYRAZOLODIAZEPINES FROM DERIVATIVES OF BENZOTHIENO-OR PYRAZOLODIAZEPINES HOFFMANN-LA ROCHE INC. (US) 1982-09-14 US disclosed
US-4347365-A ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1982-08-31 US disclosed
US-4347364-A INTERMEDIATES THEREFOR HOFFMANN-LA ROCHE INC. (US) 1982-08-31 US disclosed
US-4307237-A ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1981-12-22 US disclosed
US-4280957-A Imidazodiazepines and processes therefor HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US disclosed