SCHEMBL4351692

SCHEMBL4351692

O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC(CO)N(C(=O)O)Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
AVPR2 P30518 9/20 0.40
RAB9A P51151 1/20 0.39
AVPR1A P37288 6/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8268545 0.88 MAPT (0.48) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL2957394 0.88 MAPT (0.48) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL2954152 0.87 NPC1 (0.42) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL8267136 0.87 NPC1 (0.42) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL8267303 0.87 MAPT (0.42) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL2951982 0.87 MAPT (0.42) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL5066806 0.87 MAPT (0.45) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL13239409 0.85 RECQL (0.43) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL8268543 0.82 MAPT (0.48) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL2952209 0.82 MAPT (0.48) MAPTKMT2AMEN1NPC1LMNA

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
EP-1809296-A4 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-03-11 EP disclosed
EP-1809296-A2 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-25 EP disclosed
WO-2006049984-A2 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 WO disclosed