SCHEMBL6962161

SCHEMBL6962161

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
HTT P42858 3/20 0.46
USP2 O75604 1/20 0.46
MGLL Q99685 8/20 0.46
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
BLM P54132 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 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
SCHEMBL6964263 0.91 ALDH1A1 (0.42) LMNAMGLLALDH1A1KDM4EL3MBTL1
SCHEMBL6955924 0.91 LMNA (0.47) LMNAHTTUSP2MGLLALDH1A1
SCHEMBL6964781 0.90 L3MBTL1 (0.46) LMNAMGLLALDH1A1KDM4EL3MBTL1
SCHEMBL6970194 0.89 LMNA (0.52) LMNAHTTUSP2MGLLALDH1A1
SCHEMBL6960505 0.86 LMNA (0.52) LMNAHTTUSP2MGLLALDH1A1
SCHEMBL6969382 0.83 LMNA (0.55) LMNAHTTUSP2ALDH1A1MAPT
SCHEMBL6969398 0.82 ALDH1A1 (0.42) LMNAMGLLALDH1A1MAPTMEN1
SCHEMBL6959155 0.80 LMNA (0.50) LMNAHTTUSP2ALDH1A1MAPT
SCHEMBL6971802 0.80 SMN1; SMN2 (0.44) LMNAALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL6969348 0.79 SMN1; SMN2 (0.45) LMNAHTTUSP2ALDH1A1L3MBTL1

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