SCHEMBL6964263

SCHEMBL6964263

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccc(C)cc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.39
NPBWR1 P48145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 1/20 0.39
MGLL Q99685 2/20 0.39
AGTR1 P30556 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6962161 0.91 LMNA (0.49) ALDH1A1KDM4EBLML3MBTL1LMNA
SCHEMBL6964781 0.91 L3MBTL1 (0.46) ALDH1A1KDM4EBLML3MBTL1LMNA
SCHEMBL6969398 0.91 ALDH1A1 (0.42) ALDH1A1LMNAKMT2AMEN1MGLL
SCHEMBL6971802 0.88 SMN1; SMN2 (0.44) ALDH1A1KDM4EL3MBTL1LMNAKMT2A
SCHEMBL6968111 0.85 ALDH1A1 (0.43) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL6966483 0.85 SMN1; SMN2 (0.44) ALDH1A1KDM4EL3MBTL1LMNAKMT2A
SCHEMBL6955924 0.82 LMNA (0.47) ALDH1A1LMNAKMT2AMEN1MGLL
SCHEMBL6970661 0.82 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL6969348 0.81 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL6970194 0.80 LMNA (0.52) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2

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 2 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
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed