SCHEMBL7481535

SCHEMBL7481535

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.41
NR1H2 P55055 17/20 0.39
NR1H3 Q13133 3/20 0.35
GBA1 P04062 1/20 0.33
EED O75530 1/20 0.32

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
SCHEMBL7595112 0.91 NR1H2 (0.41) NR1H2NR1H3EED
SCHEMBL7593155 0.85 AAK1 (0.38) AAK1NR1H2NR1H3
SCHEMBL7967420 0.81 BRD4 (0.46) NR1H2
SCHEMBL7459831 0.80 AAK1 (0.38) AAK1NR1H2NR1H3GBA1
SCHEMBL7475885 0.76 CHRM2 (0.37) NR1H2EED
SCHEMBL7481176 0.74 CKS1B (0.45) NR1H2NR1H3
SCHEMBL7016266 0.74 NR1H2 (0.46) NR1H2NR1H3
SCHEMBL19057816 0.73 METAP2 (0.44) AAK1GBA1
SCHEMBL3339614 0.68 HRH3 (0.61) AAK1
SCHEMBL20884885 0.68 AAK1 (0.44) AAK1GBA1

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