SCHEMBL6558083

SCHEMBL6558083

CC(C)(N)c1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
CLK1 P49759 2/20 0.42
DYRK1A Q13627 1/20 0.42
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
ROCK2 O75116 3/20 0.40
CIT O14578 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PRKCB P05771 1/20 0.40

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
SCHEMBL6560024 0.88 DHPS (0.44) DHPSLMNANPC1CYP1A2CYP3A4
SCHEMBL6558134 0.87 DHPS (0.43) DHPSLMNANPC1CYP1A2CYP3A4
SCHEMBL6560002 0.87 DHPS (0.43) DHPSLMNANPC1CYP1A2CYP3A4
SCHEMBL6557761 0.86 DHPS (0.45) DHPSLMNANPC1CYP1A2CYP3A4
SCHEMBL6558106 0.85 ROCK2 (0.57) DHPSCLK1DYRK1AROCK2CIT
SCHEMBL6560252 0.85 DHPS (0.41) DHPSLMNANPC1CYP1A2CYP3A4
SCHEMBL6557736 0.82 ROCK2 (0.48) DHPSLMNANPC1CYP1A2CYP3A4
SCHEMBL6558203 0.79 NPC1 (0.42) DHPSLMNANPC1CYP1A2CYP3A4
SCHEMBL14705855 0.77 LMNA (0.48) DHPSLMNANPC1CYP1A2CYP3A4
SCHEMBL6559068 0.77 DHPS (0.48) DHPSLMNANPC1CYP1A2CYP3A4

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