SCHEMBL7306590

SCHEMBL7306590

CC1(c2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)OCCO1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.61
CNR1 P21554 1/20 0.61
NTSR1 P30989 1/20 0.61
OPRK1 P41145 1/20 0.61
LMNA P02545 2/20 0.60
HPGD P15428 1/20 0.60
GABRA1 P14867 5/20 0.59
GABRA5 P31644 5/20 0.59
GABRA3 P34903 5/20 0.59
GABRA2 P47869 5/20 0.59
GABRB2 P47870 5/20 0.59
GABRG2 P18507 3/20 0.59
GABRB3 P28472 3/20 0.59
KMT2A Q03164 1/20 0.51
CHRM1 P11229 5/20 0.46
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46

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
SCHEMBL7313445 0.81 PDE4D (0.49) PDE4DCNR1NTSR1OPRK1LMNA
SCHEMBL7313452 0.81 PDE4D (0.49) PDE4DCNR1NTSR1OPRK1LMNA
SCHEMBL11821347 0.79 CHRM1 (0.71) PDE4DCNR1NTSR1OPRK1LMNA
SCHEMBL8933612 0.77 TSHR (0.44) PDE4DCNR1NTSR1OPRK1LMNA
SCHEMBL13538415 0.76 PDE4D (0.71) PDE4DCNR1NTSR1OPRK1LMNA
Nordazepam SCHEMBL78453 0.76 PDE4D (1.00) PDE4DCNR1NTSR1OPRK1LMNA
SCHEMBL1421181 0.76 KMT2A (0.82) PDE4DCNR1NTSR1OPRK1LMNA
Ro-053061 SCHEMBL2615407 0.76 PDE4D (0.71) PDE4DCNR1NTSR1OPRK1LMNA
Ro-053061 SCHEMBL2615409 0.76 PDE4D (0.71) PDE4DCNR1NTSR1OPRK1LMNA
7-Amino-Nitrazepam SCHEMBL15435607 0.76 PDE4D (0.71) PDE4DCNR1NTSR1OPRK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996023790-A1 ACETYLIMIDAZOBENZODIAZEPINES F. HOFFMANN-LA ROCHE AG (CH) 1996-08-08 WO disclosed
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