SCHEMBL7334661

SCHEMBL7334661

Nc1c(OCCNCc2ccc(Cl)cc2)cccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
POLB P06746 1/20 0.58
KCNH2 Q12809 1/20 0.58
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR6 P50406 4/20 0.46
ADRA1D P25100 5/20 0.44
HTR1A P08908 4/20 0.44
ADRA1A P35348 4/20 0.44
ADRA1B P35368 4/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL8216991 0.89 KDM4E (0.59) KDM4EPOLBKCNH2HTR6ADRA1D
SCHEMBL7332908 0.89 KDM4E (0.73) KDM4EPOLBKCNH2HTR6ADRA1D
SCHEMBL7342750 0.88 KDM4E (0.58) KDM4EPOLBKCNH2MAPTHTR6
SCHEMBL8118187 0.86 KDM4E (0.49) KDM4EPOLBKCNH2MAPTL3MBTL1
SCHEMBL7336472 0.86 KDM4E (0.79) KDM4EPOLBKCNH2HTR6ADRA1D
SCHEMBL7334407 0.85 KDM4E (0.55) KDM4EPOLBKCNH2MAPTHTR6
SCHEMBL8131134 0.85 KDM4E (0.55) KDM4EPOLBKCNH2MAPTHTR6
SCHEMBL7336105 0.81 KDM4E (0.60) KDM4EPOLBKCNH2ADRA1DHTR1A
SCHEMBL7335016 0.78 POLB (0.48) KDM4EPOLBKCNH2L3MBTL1ADRA1D
SCHEMBL11545921 0.78 NPC1 (0.68) KDM4EPOLBKCNH2MAPTNPC1

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
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-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
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-0963372-A1 5-AMINOALKOXY-1,4-DIHYDROQUINOXALINE-2,3-DIONES BEING DOPAMINE AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-15 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
WO-1998035948-A1 5-AMINOALKOXY-1,4-DIHYDROQUINOXALINE-2,3-DIONES BEING DOPAMINE AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed