SCHEMBL7320833

SCHEMBL7320833

N#CCCN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.66
LMNA P02545 2/20 0.66
PDE3A Q14432 1/20 0.66
ALB P02768 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PDE4D Q08499 2/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
HTR2B P41595 1/20 0.47
NR1I2 O75469 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
OPRM1 P35372 1/20 0.46
TP53 P04637 3/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 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
SCHEMBL7330064 0.89 OPRK1 (0.67) OPRK1LMNAPDE3AALBMEN1
Cinolazepam SCHEMBL30338063 0.87 OPRK1 (0.53) OPRK1LMNAPDE3APDE4DCHRM2
Cinolazepam SCHEMBL4457397 0.87 OPRK1 (0.53) OPRK1LMNAPDE3APDE4DCHRM2
Cinolazepam SCHEMBL415075 0.87 OPRK1 (0.53) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL25409870 0.85 OPRK1 (0.52) OPRK1LMNAPDE3AALBPDE4D
SCHEMBL31366637 0.85 OPRK1 (0.52) OPRK1LMNAPDE3AALBPDE4D
SCHEMBL25409864 0.85 OPRK1 (0.52) OPRK1LMNAPDE3AALBPDE4D
SCHEMBL7328677 0.84 LMNA (0.47) OPRK1LMNAPDE3APDE4DHDAC1
SCHEMBL7318902 0.84 PDE4D (0.48) OPRK1LMNAPDE3AALBMEN1
Cinolazepam SCHEMBL28142897 0.84 OPRK1 (0.50) OPRK1LMNAPDE3APDE4DCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4388313-A Novel 3-hydroxy-1,4-benzodiazepine-2-ones and process for the preparation thereof GEROT-PHARMAZEUTIKA GESELLSCHAFT M.B.H. (AT) 1983-06-14 US claimed
US-4388313-A Novel 3-hydroxy-1,4-benzodiazepine-2-ones and process for the preparation thereof GEROT-PHARMAZEUTIKA GESELLSCHAFT M.B.H. (AT) 1983-06-14 US disclosed