SCHEMBL7426436

SCHEMBL7426436

COC(=O)c1ccc(C(=O)N(C)c2ccc(C)cc2[N+](=O)[O-])cc1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
GAA P10253 2/20 0.41
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCAR3 P49019 1/20 0.40
LMNA P02545 3/20 0.40
VCAM1 P19320 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
MCOLN3 Q8TDD5 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
SCHEMBL7424717 0.90 MAPT (0.47) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL7373360 0.81 MAPT (0.43) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL7374234 0.80 MAPT (0.44) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL7479927 0.78 MAPT (0.40) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL7338638 0.77 MAPT (0.46) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL7421960 0.76 LMNA (0.45) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL7421191 0.76 MAPT (0.48) MAPTALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL2721649 0.75 TSHR (0.55) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL7373593 0.73 ALDH1A1 (0.43) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL7376935 0.73 ALDH1A1 (0.43) MAPTGAAALDH1A1KMT2AMEN1

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