SCHEMBL7966770

SCHEMBL7966770

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)O)ccc1NC(=O)c1cccc2c1nc(C(=O)OC(C)(C)C)n2CN

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.34
ADRA1D P25100 6/20 0.33
ADRA1A P35348 6/20 0.33
ADRA1B P35368 6/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PYGL P06737 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7967359 0.91 AVPR2 (0.35) IRAK4
SCHEMBL7967095 0.90 BRD4 (0.37) IRAK4MEN1KMT2ATP53GAA
SCHEMBL7969774 0.84 MAP3K7 (0.38)
SCHEMBL7482373 0.81 BRD4 (0.34) IRAK4ADRA1DADRA1AADRA1BMEN1
SCHEMBL7474173 0.80 ADRA1D (0.32) IRAK4ADRA1DADRA1AADRA1BMEN1
SCHEMBL7337787 0.78 ALDH1A1 (0.41) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7335216 0.78 MEN1 (0.46) IRAK4ADRA1DADRA1AADRA1BMEN1
SCHEMBL7483103 0.78 BRD4 (0.36) IRAK4MEN1KMT2A
SCHEMBL7970647 0.77 MAP3K7 (0.38) IRAK4GAA
SCHEMBL7607734 0.77 BRD4 (0.35) IRAK4MEN1KMT2ATP53

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 1 patent. 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