SCHEMBL6955643

SCHEMBL6955643

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
PPARG P37231 1/20 0.41
HPGD P15428 1/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL6969126 0.90 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL7140109 0.90 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL6971802 0.90 SMN1; SMN2 (0.44) L3MBTL1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL6966483 0.90 SMN1; SMN2 (0.44) L3MBTL1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL6969348 0.89 SMN1; SMN2 (0.45) L3MBTL1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL6969761 0.89 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL6970194 0.88 LMNA (0.52) SMN1; SMN2KMT2AMEN1RAB9AALDH1A1
SCHEMBL6964153 0.87 SMN1; SMN2 (0.46) L3MBTL1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL6964781 0.87 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL6960127 0.86 NPSR1 (0.49) SMN1; SMN2KMT2AMEN1NPSR1RAB9A

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