SCHEMBL7334343

SCHEMBL7334343

Nc1c(OCCNCc2cccs2)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 3/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MAOB P27338 1/20 0.37
PDE7A Q13946 1/20 0.36

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
SCHEMBL7335016 0.85 POLB (0.48) DRD2DRD4DRD3PKMPOLB
SCHEMBL7336105 0.83 KDM4E (0.60) DRD2DRD4DRD3POLBKCNH2
SCHEMBL8118187 0.81 KDM4E (0.49) DRD2DRD4DRD3MAPTPOLB
SCHEMBL7335224 0.81 POLB (0.43) DRD2DRD4DRD3ALDH1A1MAPT
SCHEMBL7338597 0.77 KCNH2 (0.38) ALDH1A1MAPTKCNH2HTTTP53
SCHEMBL7334439 0.73 PDE7A (0.40) ALDH1A1MAPTKDM4ESMN1; SMN2PDE7A
SCHEMBL7485385 0.73 PDE7A (0.40) ALDH1A1MAPTKDM4EPDE7A
SCHEMBL7341344 0.72 DRD2 (0.70) DRD2DRD4DRD3ALDH1A1MAPT
SCHEMBL8119329 0.71 SMN1; SMN2 (0.49) DRD2DRD4DRD3ALDH1A1MAPT
SCHEMBL7334661 0.70 KDM4E (0.58) DRD2DRD4DRD3MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103744-A ADMINISTERING TO THE PATIENT A DOPAMINE AUTORECEPTOR AGONISTS FOR THE TREATMENT OF SCHIZOPHRENIA, PARKINSON,S DISEASE, TOURETTE,S SYNDROM, ALCOHOLISM AND DRUG ADDICTION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-15 US disclosed
EP-0964854-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-THIONES DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-22 EP disclosed
EP-0964853-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-22 EP disclosed
US-5990144-A TREATING PARKINSON'S DISEASE, TOURETTE'S SYNDROME, SCHIZOPHRENIA, AND ALCOHOL AND DRUG ADDICTION; DOPAMINERGIC PROPERTIES; SIDE-EFFECT REDUCTION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-23 US disclosed
US-5972958-A 4-aminoalkoxy-1,3-dihydro-benzoimidazol-2-thiones AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-26 US disclosed
WO-1998035947-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-THIONES DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed
WO-1998035946-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed