SCHEMBL7319909

SCHEMBL7319909

CC(=O)NCC1CN=C(c2ccccc2)c2cc(Cl)ccc2N1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 12/20 0.50
CNR1 P21554 1/20 0.48
NTSR1 P30989 1/20 0.48
PDE4D Q08499 1/20 0.48
CHRM1 P11229 5/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
ALB P02768 1/20 0.44
KMT2A Q03164 1/20 0.44
OPRD1 P41143 4/20 0.44
OPRM1 P35372 3/20 0.43
CCKBR P32239 2/20 0.43

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
SCHEMBL7316611 0.88 GABRA1 (0.49) OPRK1CHRM1MEN1LMNAKMT2A
SCHEMBL7312454 0.87 LMNA (0.51) OPRK1CHRM1LMNACCKBR
Hydrochloric Acid SCHEMBL7309472 0.78 CHRM1 (0.52) OPRK1CNR1NTSR1PDE4DCHRM1
SCHEMBL7305628 0.77 LMNA (0.49) OPRK1CHRM1LMNACCKBR
SCHEMBL10963912 0.75 OPRK1 (0.79) OPRK1OPRD1OPRM1CCKBR
SCHEMBL7314804 0.75 LMNA (0.49) OPRK1CHRM1LMNACCKBR
SCHEMBL10672472 0.75 CHRM1 (0.53) OPRK1CNR1NTSR1PDE4DCHRM1
SCHEMBL28037510 0.72 OPRK1 (0.56) OPRK1CNR1NTSR1PDE4DCHRM1
SCHEMBL11264159 0.71 OPRK1 (0.56) OPRK1PDE4DCHRM1ALDH1A1HTT
SCHEMBL11799622 0.70 CHRM1 (0.48) OPRK1CNR1NTSR1PDE4DCHRM1

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