SCHEMBL5203299

SCHEMBL5203299

Nc1cccc(OCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
GRM5 P41594 1/20 0.43
APP P05067 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
SIRT2 Q8IXJ6 12/20 0.40
TSHR P16473 1/20 0.39
KCNH2 Q12809 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 0.87 KCNH2 (0.46) GRM5SIRT2KCNH2
SCHEMBL5202899 0.80 MAPT (0.51) MAOB
SCHEMBL7844409 0.80 ALOX5 (0.52) MAOBCYP3A4SIRT2
SCHEMBL7818117 0.79 SIRT2 (0.44) MAOBSIRT2
SCHEMBL10818574 0.78 SIRT2 (0.43) SIRT2
SCHEMBL5203659 0.78 DRD2 (0.47) SIRT2
SCHEMBL7384162 0.76 ALDH1A1 (0.53) SIRT2
SCHEMBL14289994 0.76 SIRT2 (0.46) SIRT2
SCHEMBL7594682 0.75 SIRT2 (0.41) SIRT2
SCHEMBL224236 0.74 SIRT2 (0.43) SIRT2

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