SCHEMBL7475032

SCHEMBL7475032

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCNC(C)=O)ccc1NC(=O)c1cccc2[nH]c(C)nc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.36
TP53 P04637 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
BRD4 O60885 1/20 0.34
DHODH Q02127 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KCNMA1 Q12791 1/20 0.33
MAP3K7 O43318 1/20 0.33

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
SCHEMBL7478105 0.91 IRAK4 (0.37) IRAK4TP53GAASMN1; SMN2LMNA
SCHEMBL7564594 0.91 RXFP1 (0.37) IRAK4TP53GAASMN1; SMN2LMNA
SCHEMBL7560974 0.91 ATM (0.35) IRAK4TP53MAPTBRD4
Hydrochloric Acid SCHEMBL7598263 0.90 RXFP1 (0.37) IRAK4TP53GAAMAPTRAB9A
SCHEMBL7964830 0.90 IRAK4 (0.37) IRAK4TP53GAAMAPTRAB9A
Hydrochloric Acid SCHEMBL7968769 0.90 IRAK4 (0.37) IRAK4TP53GAAMAPTRAB9A
Hydrochloric Acid SCHEMBL7610476 0.90 IRAK4 (0.36) IRAK4TP53GAAMAPTRAB9A
SCHEMBL7474537 0.86 ALDH1A1 (0.40) IRAK4TP53GAASMN1; SMN2LMNA
SCHEMBL7954262 0.84 AVPR2 (0.39) IRAK4MAP3K7
SCHEMBL7339638 0.84 BRD4 (0.43) TP53GAASMN1; SMN2LMNAMAPT

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