SCHEMBL7318178

SCHEMBL7318178

Cc1ncc2n1-c1ccc([N+](=O)[O-])cc1C(c1ccccc1)=NC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
OPRK1 P41145 4/20 0.51
PDE4D Q08499 2/20 0.51
SLC22A1 O15245 1/20 0.51
ABCB11 O95342 1/20 0.51
CYP3A4 P08684 1/20 0.51
DRD3 P35462 1/20 0.51
HPGD P15428 2/20 0.50
CHRM1 P11229 1/20 0.49
GABRA1 P14867 7/20 0.47
GABRA5 P31644 7/20 0.47
GABRA3 P34903 5/20 0.47
GABRG2 P18507 4/20 0.47
GABRB3 P28472 4/20 0.47
GABRA2 P47869 6/20 0.46
GABRB2 P47870 6/20 0.46
CCKBR P32239 1/20 0.46
MC3R P41968 1/20 0.46
GHSR Q92847 1/20 0.46
BRD4 O60885 2/20 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
Fumaric Acid SCHEMBL7312184 0.93 LMNA (0.55) LMNAOPRK1PDE4DSLC22A1ABCB11
Maleic Acid SCHEMBL7312176 0.93 LMNA (0.55) LMNAOPRK1PDE4DSLC22A1ABCB11
SCHEMBL11509112 0.85 LMNA (0.64) LMNAOPRK1PDE4DHPGDCHRM1
SCHEMBL14497504 0.83 OPRK1 (0.57) LMNAOPRK1PDE4DSLC22A1ABCB11
SCHEMBL11837344 0.83 LMNA (0.62) LMNAOPRK1PDE4DHPGDCHRM1
SCHEMBL7347371 0.82 OPRK1 (0.61) LMNAOPRK1PDE4DSLC22A1ABCB11
Maleic Acid SCHEMBL7303127 0.82 OPRK1 (0.52) LMNAOPRK1PDE4DSLC22A1ABCB11
Fumaric Acid SCHEMBL7303133 0.82 OPRK1 (0.52) LMNAOPRK1PDE4DSLC22A1ABCB11
SCHEMBL29407473 0.82 GABRA1 (0.67) LMNAOPRK1PDE4DHPGDCHRM1
SCHEMBL7324713 0.82 GABRA1 (0.67) LMNAOPRK1PDE4DHPGDCHRM1

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-4368159-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-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-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-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