SCHEMBL7336472

SCHEMBL7336472

Nc1c(OCCCNCc2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.79
POLB P06746 1/20 0.67
KCNH2 Q12809 1/20 0.67
HTR1A P08908 2/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
DRD4 P21917 7/20 0.48
DRD2 P14416 6/20 0.48
DRD3 P35462 6/20 0.48
NPC1 O15118 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
SCN8A Q9UQD0 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTR6 P50406 4/20 0.45

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
SCHEMBL7332908 0.96 KDM4E (0.73) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL7334310 0.88 KDM4E (0.61) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL8216991 0.87 KDM4E (0.59) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL7342750 0.86 KDM4E (0.58) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL7334661 0.86 KDM4E (0.58) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL8131134 0.83 KDM4E (0.55) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL7334407 0.83 KDM4E (0.55) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL7332901 0.81 KDM4E (0.73) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL11545573 0.81 NPC1 (0.61) KDM4ENPC1RECQLRAB9AKMT2A
SCHEMBL11545932 0.81 NPC1 (0.61) KDM4ENPC1RECQLRAB9AKMT2A

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 10 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-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-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
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