SCHEMBL6558022

SCHEMBL6558022

CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccncc2)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.53
CYP17A1 P05093 1/20 0.49
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
HDAC1 Q13547 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 2/20 0.43
KLKB1 P03952 2/20 0.43
PLG P00747 2/20 0.43
KLK1 P06870 2/20 0.43
KLK6 Q92876 2/20 0.43
KCNMA1 Q12791 1/20 0.43
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42

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
SCHEMBL6559961 0.85 RXFP1 (0.51) NAMPTCYP17A1MAPTTDP1XBP1
SCHEMBL1438618 0.82 NAMPT (0.75) NAMPTCYP17A1MAPTTDP1HDAC1
SCHEMBL6557957 0.82 NAMPT (0.49) NAMPTMAPTTDP1NPSR1HDAC1
SCHEMBL5749285 0.76 ERCC1 (0.56) NAMPTHDAC1L3MBTL1
SCHEMBL23898926 0.76 NAMPT (0.57) NAMPTMAPTTDP1XBP1NPSR1
SCHEMBL481947 0.76 RAB9A (0.58) NAMPTCYP17A1MAPTRAB9ANR1H4
SCHEMBL1553522 0.76 KLKB1 (0.64) NPC1RAB9AALOX15KLKB1PLG
SCHEMBL19092532 0.75 HDAC1 (0.47) NAMPTHDAC1NR1H4L3MBTL1
SCHEMBL30182158 0.75 NAMPT (0.58) NAMPTMAPTTDP1XBP1NPSR1
SCHEMBL24891917 0.75 NAMPT (0.58) NAMPTMAPTTDP1XBP1NPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391454-A1 Substituted benzamide compounds with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2004-02-25 EP disclosed
EP-1195372-A1 N-heterocyclic substituted benzamide derivatives with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2002-04-10 EP disclosed
US-6156766-A Benzamide compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-12-05 US disclosed
US-5958944-A TREATMENT OF CIRCULATORY DISEASES IN CORONARY, CEREBRAL, RENAL AND PERIPHERAL ARTERIES, AS A THERAPEUTIC AGENT FOR HYPERTENSION, ANGINA PECTORIS, AND RENAL AND PERIPHERAL CIRCULATION DISORDER, ANTIASTHMATIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 EP disclosed