SCHEMBL6966529

SCHEMBL6966529

CCOC(=O)CCNc1ccc(C)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 8/20 0.50
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
BCL6 P41182 1/20 0.50
BCOR Q6W2J9 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 4/20 0.49
NPC1 O15118 4/20 0.49
MAPK1 P28482 3/20 0.49
HPGD P15428 3/20 0.48
PKM P14618 3/20 0.48
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 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
SCHEMBL9830208 0.82 ALDH1A1 (0.51) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL4829895 0.81 MAPT (0.57) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL14929541 0.80 SMN1; SMN2 (0.57) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL2311231 0.80 MAPT (0.50) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL2938667 0.79 MEN1 (0.54) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL11086969 0.79 ALDH1A1 (0.74) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL3670571 0.77 TOP2A (0.53) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL6969883 0.77 MAPT (0.59) MAPTKDM4EALDH1A1BCL6BCOR
SCHEMBL6954918 0.77 MAPT (0.69) MAPTKDM4EALDH1A1KMT2ABCL6
SCHEMBL6891724 0.77 TOP2A (0.46) MAPTALDH1A1SMN1; SMN2LMNANPC1

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