SCHEMBL5203659

SCHEMBL5203659

CS(=O)(=O)Nc1cccc(OCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
NPC1 O15118 1/20 0.41
AR P10275 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIRT2 Q8IXJ6 13/20 0.40
F2 P00734 1/20 0.39
ALOX5AP P20292 1/20 0.38

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
SCHEMBL6674214 0.79 KCNH2 (0.46) CYSLTR2CYSLTR1SIRT2
SCHEMBL5203299 0.78 MAOB (0.50) SIRT2
SCHEMBL5439663 0.76 SIRT2 (0.42) SIRT2
SCHEMBL5202899 0.75 MAPT (0.51) RAB9ASMN1; SMN2
SCHEMBL7818117 0.74 SIRT2 (0.44) NPC1RAB9ASMN1; SMN2SIRT2
SCHEMBL7094939 0.74 AR (0.71) DRD2DRD4DRD3NPC1AR
SCHEMBL7844409 0.73 ALOX5 (0.52) NPC1RAB9ASIRT2
SCHEMBL7384162 0.72 ALDH1A1 (0.53) RAB9ASMN1; SMN2SIRT2
SCHEMBL14289994 0.71 SIRT2 (0.46) SIRT2
SCHEMBL5206663 0.71 DRD2 (0.48) DRD2DRD4DRD3CYSLTR2CYSLTR1

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
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed