SCHEMBL7965063

SCHEMBL7965063

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=C=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2[nH]c(N3CCN(C)CC3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.34
ADRA1D P25100 5/20 0.33
ADRA1A P35348 5/20 0.33
ADRA1B P35368 5/20 0.33
MAP3K7 O43318 2/20 0.32
PARP1 P09874 1/20 0.32
KMT2A Q03164 2/20 0.32
HDAC3 O15379 1/20 0.32
BRD4 O60885 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MEN1 O00255 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
SCHEMBL7964770 0.93 MAP3K7 (0.33) ADRA1DADRA1AADRA1BMAP3K7HDAC3
SCHEMBL7966512 0.93 BTK (0.34) PTGESMAP3K7HDAC3BRD4HDAC4
SCHEMBL7482003 0.93 MAP3K7 (0.33) MAP3K7KMT2AHDAC3BRD4HDAC4
SCHEMBL7965069 0.92 LMNA (0.36) PTGESADRA1DADRA1AADRA1BMAP3K7
SCHEMBL7955266 0.92 MAP3K7 (0.31) MAP3K7HDAC3BRD4HDAC4HDAC1
SCHEMBL7966521 0.92 MAP3K7 (0.33) MAP3K7KMT2AHDAC3BRD4HDAC4
SCHEMBL7964677 0.92 HDAC3 (0.34) PTGESADRA1DADRA1AADRA1BMAP3K7
SCHEMBL7480014 0.92 MAP3K7 (0.32) MAP3K7HDAC3BRD4HDAC4HDAC1
Hydrochloric Acid SCHEMBL7966276 0.92 LMNA (0.36) PTGESADRA1DADRA1AADRA1BMAP3K7
SCHEMBL7966817 0.91 HDAC3 (0.33) PTGESADRA1DADRA1AADRA1BMAP3K7

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