SCHEMBL6960672

SCHEMBL6960672

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 2/20 0.40
PPARG P37231 1/20 0.40
AR P10275 1/20 0.40
MAPT P10636 1/20 0.39
PTBP1 P26599 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
SCHEMBL6973134 0.87 NPSR1 (0.47) SMN1; SMN2LMNAHTTNPSR1KMT2A
SCHEMBL6955643 0.82 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL6972297 0.80 ALDH1A1 (0.46) L3MBTL1SMN1; SMN2LMNAMAPK1HTT
SCHEMBL6971564 0.76 AVPR2 (0.54) LMNANPSR1ALDH1A1
SCHEMBL6966483 0.74 SMN1; SMN2 (0.44) L3MBTL1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL6965409 0.73 SMN1; SMN2 (0.47) L3MBTL1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6969348 0.73 SMN1; SMN2 (0.45) L3MBTL1SMN1; SMN2LMNAHTTNPSR1
SCHEMBL6969126 0.72 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL6972803 0.72 L3MBTL1 (0.69) L3MBTL1SMN1; SMN2LMNAMAPK1HTT
SCHEMBL6971802 0.72 SMN1; SMN2 (0.44) L3MBTL1SMN1; SMN2LMNANPSR1KMT2A

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