SCHEMBL6972297

SCHEMBL6972297

CCOC(=O)CN1C(=O)CC(C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
NPSR1 Q6W5P4 1/20 0.44
P2RY1 P47900 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SLC12A2 P55011 1/20 0.41
SLC12A5 Q9H2X9 1/20 0.41
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 2/20 0.40
PPARG P37231 1/20 0.40
AR P10275 1/20 0.39

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
SCHEMBL6958744 0.86 ALDH1A1 (0.49) ALDH1A1NPSR1SMN1; SMN2KMT2AMAPT
SCHEMBL6955643 0.81 L3MBTL1 (0.46) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL6960672 0.80 L3MBTL1 (0.46) ALDH1A1NPSR1SMN1; SMN2KMT2AMAPT
SCHEMBL6972433 0.76 AVPR2 (0.54) ALDH1A1MAPT
SCHEMBL6964138 0.73 L3MBTL1 (0.60) ALDH1A1P2RY1SMN1; SMN2KMT2AMAPT
SCHEMBL6966483 0.73 SMN1; SMN2 (0.44) ALDH1A1NPSR1SMN1; SMN2KMT2AMAPT
SCHEMBL6969348 0.72 SMN1; SMN2 (0.45) ALDH1A1NPSR1SMN1; SMN2KMT2AMAPT
SCHEMBL6959376 0.72 HDAC1 (0.46) ALDH1A1MAPTLMNAL3MBTL1TDP1
SCHEMBL6969126 0.72 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL6971802 0.71 SMN1; SMN2 (0.44) ALDH1A1NPSR1SMN1; SMN2KMT2AMAPT

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-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed