SCHEMBL6965183

SCHEMBL6965183

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
MYC P01106 2/20 0.41
MAX P61244 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MGLL Q99685 3/20 0.40
BLM P54132 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NAAA Q02083 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPBWR1 P48145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL6964781 0.87 L3MBTL1 (0.46) MGLLBLML3MBTL1ALDH1A1MAPT
SCHEMBL6969398 0.81 ALDH1A1 (0.42) MGLLALDH1A1MAPTNPSR1MEN1
SCHEMBL6955643 0.81 L3MBTL1 (0.46) L3MBTL1ALDH1A1NPSR1MEN1KMT2A
SCHEMBL6955924 0.80 LMNA (0.47) MGLLALDH1A1MAPTMEN1KMT2A
SCHEMBL6964263 0.78 ALDH1A1 (0.42) MGLLBLML3MBTL1ALDH1A1MAPT
SCHEMBL6969301 0.77 BRD4 (0.54) ABCB1MYCMAXL3MBTL1ALDH1A1
SCHEMBL9414290 0.77 ABCB1 (0.44) ABCB1MYCMAXHSD17B10MGLL
SCHEMBL6959345 0.77 PDE4A (0.45) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL6962161 0.77 LMNA (0.49) MGLLBLML3MBTL1ALDH1A1MAPT
SCHEMBL6964164 0.76 NPSR1 (0.46) HSD17B10ALDH1A1MAPTNPSR1MEN1

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