SCHEMBL7334233

SCHEMBL7334233

O=C(Nc1c(OCCN(Cc2ccccc2)C(=O)C(F)(F)F)cccc1[N+](=O)[O-])C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
SNCA P37840 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL7339601 0.84 KCNH2 (0.44) KCNH2POLBKDM4EKMT2AL3MBTL1
SCHEMBL7344178 0.80 KCNH2 (0.43) KCNH2POLBKDM4EKMT2AL3MBTL1
SCHEMBL7336464 0.76 KCNH2 (0.45) KCNH2POLBKDM4EKMT2AL3MBTL1
SCHEMBL7336180 0.76 KCNH2 (0.45) KCNH2POLBKDM4EKMT2AL3MBTL1
SCHEMBL7344558 0.76 KMT2A (0.42) KCNH2POLBKDM4EKMT2AL3MBTL1
SCHEMBL7334227 0.76 KCNH2 (0.42) KCNH2POLBKDM4EKMT2AL3MBTL1
SCHEMBL7345118 0.75 KCNH2 (0.50) KCNH2POLBKDM4EKMT2AL3MBTL1
SCHEMBL7335763 0.75 KCNH2 (0.43) KCNH2POLBKDM4EKMT2ALMNA
SCHEMBL7334771 0.73 KDM4E (0.42) KCNH2KDM4EL3MBTL1ALDH1A1
SCHEMBL22499474 0.72 ALDH1A1 (0.50) KDM4EKMT2AL3MBTL1LMNANPC1

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 4 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
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