SCHEMBL11436899

SCHEMBL11436899

CN1CCC(=O)N(c2ccccc2)c2ccc(Cl)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.61
PDE4D Q08499 2/20 0.61
KMT2A Q03164 4/20 0.43
NR1I2 O75469 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
PTGS2 P35354 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 3/20 0.40
AVPR1A P37288 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
CACNA1F O60840 1/20 0.40
ALB P02768 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40

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
SCHEMBL11431631 0.94 OPRK1 (0.65) OPRK1PDE4DKMT2ANR1I2ADORA3
SCHEMBL11428583 0.86 OPRK1 (0.53) OPRK1PDE4DKMT2AMEN1
SCHEMBL11421538 0.86 OPRK1 (0.50) OPRK1PDE4DKMT2AMEN1HPGD
SCHEMBL11432235 0.84 MEN1 (0.49) OPRK1PDE4DKMT2AMEN1HTT
SCHEMBL11436107 0.84 OPRK1 (0.45) OPRK1PDE4DKMT2AMEN1HPGD
SCHEMBL11425461 0.84 MEN1 (0.51) OPRK1PDE4DKMT2AMEN1HPGD
SCHEMBL11425950 0.82 L3MBTL1 (0.55) OPRK1PDE4DKMT2AMEN1
SCHEMBL11427937 0.81 ADRA1B (0.44) OPRK1PDE4DKMT2AAVPR1A
SCHEMBL11428325 0.80 OPRK1 (0.57) OPRK1PDE4DKMT2AHTR2CMEN1
SCHEMBL11431742 0.80 OPRK1 (0.47) OPRK1PDE4DKMT2AMEN1AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4239684-A 1,5'-Benzodiazepine-2-ones, pharmaceutical compositions thereof and method of use thereof KNOLL AG (DE) 1980-12-16 US disclosed
US-RE30293-E Process for preparing 1,5-benzodiazepine-2-ones KNOLL A.G. (DE) 1980-06-03 US disclosed
US-4108852-A Process for preparing 1,5-benzodiazepine-2-ones KNOLL AG. (DE) 1978-08-22 US disclosed