SCHEMBL6969883

SCHEMBL6969883

CCOC(=O)CCNc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
KDM4E B2RXH2 1/20 0.59
KAT2B Q92831 3/20 0.57
BCL6 P41182 1/20 0.52
BCOR Q6W2J9 1/20 0.52
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
LMNA P02545 2/20 0.49
PTGER4 P35408 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
NLRP3 Q96P20 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL6954918 0.90 MAPT (0.69) MAPTKDM4EKAT2BBCL6BCOR
SCHEMBL20529704 0.88 MAPT (0.57) MAPTKDM4EKAT2BBCL6BCOR
SCHEMBL8120801 0.88 MAPT (0.57) MAPTKDM4EKAT2BBCL6BCOR
SCHEMBL2309492 0.84 MAPT (0.54) MAPTKDM4EKAT2BBCL6BCOR
SCHEMBL30697331 0.84 KAT2B (0.63) MAPTKAT2BBCL6BCORALDH1A1
SCHEMBL29126150 0.84 KAT2B (0.63) MAPTKAT2BBCL6BCORALDH1A1
SCHEMBL2314605 0.82 MAPT (0.54) MAPTKDM4EBCL6BCORALDH1A1
SCHEMBL4594932 0.81 MAPT (0.50) MAPTKDM4EBCL6BCORALDH1A1
SCHEMBL9831653 0.81 NLRP3 (0.61) MAPTKDM4EALDH1A1GAAMAPK1
SCHEMBL8191963 0.81 MAPT (0.67) MAPTKDM4EKAT2BBCL6BCOR

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