SCHEMBL7430971

SCHEMBL7430971

COC(=O)c1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
SMN1; SMN2 Q16637 2/20 0.67
TSHR P16473 2/20 0.67
GAA P10253 1/20 0.61
MAPT P10636 4/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60
SCN9A Q15858 1/20 0.59
POLB P06746 3/20 0.59
KMT2A Q03164 2/20 0.59
NPC1 O15118 1/20 0.59
MEN1 O00255 1/20 0.58
PKM P14618 1/20 0.58
ABCB1 P08183 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.58

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
SCHEMBL7425303 0.89 KMT2A (0.72) ALDH1A1SMN1; SMN2TSHRGAAMAPT
SCHEMBL7426352 0.88 MAPK1 (0.63) ALDH1A1SMN1; SMN2TSHRGAAMAPT
SCHEMBL7423165 0.83 ALDH1A1 (0.85) ALDH1A1SMN1; SMN2TSHRGAAMAPT
SCHEMBL7425788 0.81 KDM4E (0.54) ALDH1A1SMN1; SMN2TSHRGAAMAPT
SCHEMBL7424234 0.80 MAPT (0.47) ALDH1A1SMN1; SMN2TSHRGAAMAPT
SCHEMBL25680308 0.76 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL17560238 0.75 KMT2A (0.64) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL11816602 0.75 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2TSHRGAAMAPT
SCHEMBL17498728 0.75 ALDH1A1 (0.56) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL6597425 0.75 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTHTTPOLB

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