SCHEMBL7595290

SCHEMBL7595290

CCOC(=O)CCCCCOc1cc(C)ccc1N(C)C(=O)c1ccc(NC(=O)c2cccc3[nH]c(CN)nc23)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.35
BRD4 O60885 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
PTGES O14684 6/20 0.34
PARP1 P09874 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE5A O76074 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
SCHEMBL7482996 0.94 IRAK4 (0.36) BRD4HDAC8HDAC3HDAC4HDAC1
SCHEMBL7477215 0.94 HDAC3 (0.36) BRD4HDAC8HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL7970132 0.94 HDAC3 (0.35) BRD4HDAC8HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL7967286 0.92 IRAK4 (0.35) BRD4HDAC8HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL7965551 0.92 IRAK4 (0.35) BRD4HDAC8HDAC3HDAC4HDAC1
SCHEMBL7469158 0.91 BRD4 (0.33) BRD4HDAC8HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL7961721 0.91 BRD4 (0.33) BRD4HDAC8HDAC3HDAC4HDAC1
SCHEMBL7477256 0.90 POLB (0.35) IRAK4PARP1MEN1KMT2ATDP1
SCHEMBL7474276 0.90 BRD4 (0.34) BRD4HDAC8HDAC3HDAC4HDAC1
SCHEMBL7477730 0.89 PTGES (0.39) HDAC8IRAK4PTGESMEN1KMT2A

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