SCHEMBL7335016

SCHEMBL7335016

Nc1c(OCCNCc2cccs2)cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
KCNH2 Q12809 1/20 0.48
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL7334343 0.85 DRD2 (0.45) POLBKCNH2KDM4EPKMHPGD
SCHEMBL8119329 0.82 SMN1; SMN2 (0.49) POLBKDM4ESMN1; SMN2DRD2DRD4
SCHEMBL7332908 0.81 KDM4E (0.73) POLBKCNH2KDM4EHTR1AADRA1D
SCHEMBL8216991 0.79 KDM4E (0.59) POLBKCNH2KDM4EHTR1AADRA1D
SCHEMBL7342750 0.78 KDM4E (0.58) POLBKCNH2KDM4EHTR1AADRA1D
SCHEMBL7334661 0.78 KDM4E (0.58) POLBKCNH2KDM4ESMN1; SMN2HTR1A
SCHEMBL8131134 0.78 KDM4E (0.55) POLBKCNH2KDM4EHPGDSMN1; SMN2
SCHEMBL7336472 0.78 KDM4E (0.79) POLBKCNH2KDM4EHTR1AADRA1D
SCHEMBL11545921 0.77 NPC1 (0.68) POLBKCNH2KDM4EHPGDHTT
SCHEMBL7339996 0.76 ALDH1A1 (0.50) POLBKCNH2KDM4EHPGDHTR1A

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-6127380-A A D2 DOPAMINERGIC AGENT FOR THE TREATMENT OF SCHIZOPHRENIA, PARKINSON'S DISEASE, TOURETTE'S SYNDROME, AND DRUG OR ALCOHOL ADDICTION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
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-0973749-A1 4-AMINOALKOXY-1H-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-01-26 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
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
WO-1998035945-A1 4-AMINOALKOXY-1H-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed