SCHEMBL7377397

SCHEMBL7377397

CC(=O)NC(C)OC(=O)C=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.53
GABRA5 P31644 4/20 0.53
GABRA3 P34903 4/20 0.53
GABRA2 P47869 4/20 0.53
GABRB2 P47870 4/20 0.53
GABRP O00591 3/20 0.53
GABRD O14764 3/20 0.53
GABRB1 P18505 3/20 0.53
GABRG2 P18507 3/20 0.53
GABRB3 P28472 3/20 0.53
GABRA4 P48169 3/20 0.53
GABRE P78334 3/20 0.53
GABRA6 Q16445 3/20 0.53
GABRG1 Q8N1C3 3/20 0.53
GABRG3 Q99928 3/20 0.53
GABRQ Q9UN88 3/20 0.53
ALOX12 P18054 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.42
PGR P06401 1/20 0.42

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 SCHEMBL7313768 0.96 GABRA1 (0.48) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7320244 0.91 LMNA (0.54) GABRA1GABRA5GABRA3GABRA2GABRB2
Fumaric Acid SCHEMBL7312099 0.88 LMNA (0.50) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7313011 0.87 GABRA1 (0.60) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7313004 0.87 GABRA1 (0.60) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7377394 0.83 GABRA1 (0.52) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11371809 0.82 GABRA1 (0.57) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11371813 0.82 GABRA1 (0.57) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11374779 0.81 LMNA (0.59) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11374782 0.81 LMNA (0.59) GABRA1GABRA5GABRA3GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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