SCHEMBL5203986

SCHEMBL5203986

Cc1c(OCC#N)ccc(Cl)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE1C Q14123 1/20 0.38
PDE3A Q14432 1/20 0.38
POLB P06746 3/20 0.37
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8760084 0.76 MRGPRX4 (0.44) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL5201854 0.74 PDE1A (0.37) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL11027469 0.72 MAPT (0.50) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL11011178 0.72 SYK (0.49) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL5203294 0.72 TSHR (0.45) POLBALDH1A1MAPTSMN1; SMN2ALOX5AP
SCHEMBL4033816 0.72 CYP3A4 (0.42) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL11261536 0.72 MAPT (0.54) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL6776267 0.72 ALDH1A1 (0.42) POLBHTTALDH1A1MAPTLMNA
SCHEMBL5202993 0.72 ADRA1A (0.55) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL2061517 0.69 CD44 (0.41) POLBALOX15ALDH1A1MAPTSMN1; SMN2

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 9 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
CN-1262547-C Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative HOFFMANN LA ROCHE (CH) 2006-07-05 CN disclosed
CN-1176910-C Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives - 2004-11-24 CN disclosed
CN-1515562-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
CN-1515559-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN 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
CN-1203228-A Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives HOFFMANN LA ROCHE (CH) 1998-12-30 CN disclosed