SCHEMBL7595112

SCHEMBL7595112

CN(C)CCNc1nc2c(N)cccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 17/20 0.41
NR1H3 Q13133 3/20 0.36
EED O75530 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL7481535 0.91 AAK1 (0.41) NR1H2NR1H3EED
SCHEMBL7967420 0.84 BRD4 (0.46) NR1H2
SCHEMBL7481176 0.77 CKS1B (0.45) NR1H2NR1H3
SCHEMBL7016266 0.76 NR1H2 (0.46) NR1H2NR1H3
SCHEMBL7593155 0.76 AAK1 (0.38) NR1H2NR1H3
SCHEMBL7459831 0.71 AAK1 (0.38) NR1H2NR1H3
SCHEMBL4504122 0.70 DCPS (0.41)
SCHEMBL7965370 0.69 BRD4 (0.44) NR1H2
SCHEMBL13291555 0.67 HTR6 (0.40) NR1H2HTR6
SCHEMBL2858266 0.66 HSP90AA1 (0.40) NR1H2

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