SCHEMBL7334407

SCHEMBL7334407

CC(C)(C)c1ccc(CNCCOc2cccc([N+](=O)[O-])c2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
POLB P06746 1/20 0.55
KCNH2 Q12809 1/20 0.55
KMT2A Q03164 2/20 0.47
HTR1A P08908 3/20 0.44
ADRA1D P25100 3/20 0.44
ADRA1A P35348 3/20 0.44
ADRA1B P35368 3/20 0.44
GAA P10253 3/20 0.44
MITF O75030 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
HTR6 P50406 2/20 0.41
RAB9A P51151 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 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
SCHEMBL8131134 0.89 KDM4E (0.55) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL7342750 0.88 KDM4E (0.58) KDM4EPOLBKCNH2KMT2AHTR1A
SCHEMBL8216991 0.86 KDM4E (0.59) KDM4EPOLBKCNH2KMT2AHTR1A
SCHEMBL7332908 0.86 KDM4E (0.73) KDM4EPOLBKCNH2KMT2AHTR1A
SCHEMBL7334661 0.85 KDM4E (0.58) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL7336472 0.83 KDM4E (0.79) KDM4EPOLBKCNH2KMT2AHTR1A
SCHEMBL7335763 0.76 KCNH2 (0.43) KDM4EPOLBKCNH2KMT2AGAA
SCHEMBL7335016 0.76 POLB (0.48) KDM4EPOLBKCNH2KMT2AHTR1A
SCHEMBL11545921 0.75 NPC1 (0.68) KDM4EPOLBKCNH2KMT2ARAB9A
SCHEMBL7339996 0.75 ALDH1A1 (0.50) KDM4EPOLBKCNH2KMT2AHTR1A

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-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-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