SCHEMBL7328677

SCHEMBL7328677

N#CCCN1C(=O)C(O)N=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
OPRK1 P41145 2/20 0.46
PDE3A Q14432 1/20 0.46
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CASP4 P49662 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41

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
SCHEMBL7321294 0.88 OPRK1 (0.50) LMNAOPRK1PDE3ACASP1CASP3
SCHEMBL7323323 0.88 CCKBR (0.49) LMNAOPRK1CASP1CASP3CASP4
SCHEMBL7320833 0.84 OPRK1 (0.66) LMNAOPRK1PDE3AHDAC1HDAC6
SCHEMBL29394022 0.81 OPRK1 (0.68) LMNAOPRK1PDE3AHDAC1HDAC6
SCHEMBL7328672 0.79 LMNA (0.47) LMNAOPRK1PDE3AHDAC1HDAC6
SCHEMBL7330064 0.73 OPRK1 (0.67) LMNAOPRK1PDE3AMAPTCCKBR
SCHEMBL3783696 0.72 LMNA (0.64) LMNAOPRK1PDE3ACASP1CASP3
SCHEMBL2929249 0.72 LMNA (0.64) LMNAOPRK1PDE3ACASP1CASP3
Cinolazepam SCHEMBL4457397 0.72 OPRK1 (0.53) LMNAOPRK1PDE3AMAPTCCKBR
Cinolazepam SCHEMBL30338063 0.72 OPRK1 (0.53) LMNAOPRK1PDE3AMAPTCCKBR

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