SCHEMBL7480667

SCHEMBL7480667

CCOC(=O)c1cccc([N+](=O)[O-])c1N(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 4/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
AR P10275 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL8566898 0.87 LTB4R2 (0.39) L3MBTL1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8566901 0.85 LTB4R2 (0.42) L3MBTL1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL6577257 0.84 L3MBTL1 (0.51) L3MBTL1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL7480695 0.83 ALDH1A1 (0.45) L3MBTL1ALDH1A1LMNAKMT2ACRHBP
SCHEMBL9586936 0.82 FNTA (0.39) L3MBTL1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL9586917 0.82 FNTA (0.41) L3MBTL1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL16824598 0.82 AGT (0.39) L3MBTL1ALDH1A1LMNACRHBPCRHR2
SCHEMBL9586921 0.81 FNTA (0.37) L3MBTL1ALDH1A1LMNAKMT2ACRHBP
SCHEMBL9586521 0.81 FNTA (0.39) L3MBTL1ALDH1A1LMNAKMT2ACRHBP
SCHEMBL9595235 0.81 FNTA (0.37) L3MBTL1ALDH1A1LMNAKMT2ACRHBP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed