SCHEMBL7965370

SCHEMBL7965370

CC(C)(C)OC(=O)NCCCNc1nc2c([N+](=O)[O-])cccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.44
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
ADORA2A P29274 4/20 0.40
ADORA1 P30542 4/20 0.40
ADORA3 P0DMS8 3/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
ADORA2B P29275 3/20 0.38
STING1 Q86WV6 1/20 0.38
NR1H2 P55055 1/20 0.37

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
SCHEMBL7475885 0.85 CHRM2 (0.37) ADORA2AADORA3NR1H2
SCHEMBL7967420 0.85 BRD4 (0.46) BRD4PIM1PIM2ADORA2AADORA1
SCHEMBL7593155 0.83 AAK1 (0.38) ADORA2AADORA3NR1H2
SCHEMBL7484398 0.81 CKS1B (0.42) BRD4PIM1PIM2NR1H2
SCHEMBL7972272 0.77 BRD4 (0.43) BRD4ADORA2AADORA1STK17BSTK17A
SCHEMBL7484481 0.77 DCTPP1 (0.47) NR1H2
SCHEMBL8290003 0.75 LMNA (0.64) BRD4STK17BSTK17A
SCHEMBL30849526 0.74 ALDH1A1 (0.61) BRD4PIM1PIM2STK17BSTK17A
SCHEMBL25342079 0.73 CA1 (0.42) BRD4STK17BSTK17A
SCHEMBL8041119 0.71 STK17B (0.46) BRD4ADORA2AADORA1STK17BSTK17A

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 2 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