SCHEMBL7343282

SCHEMBL7343282

Nc1c(OCCN(Cc2cccc3ccccc23)C(=O)C(F)(F)F)cccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
NR1D1 P20393 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
RECQL P46063 1/20 0.37
XBP1 P17861 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 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
SCHEMBL7333407 0.86 KDM4E (0.41) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL7339601 0.85 KCNH2 (0.44) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7338032 0.82 LMNA (0.43) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7336180 0.81 KCNH2 (0.45) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7336464 0.81 KCNH2 (0.45) KCNH2ALDH1A1KDM4ENR1D1KMT2A
SCHEMBL7344178 0.81 KCNH2 (0.43) KCNH2ALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL8452234 0.81 KDM4E (0.41) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL7345118 0.80 KCNH2 (0.50) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7335763 0.80 KCNH2 (0.43) KCNH2ALDH1A1KDM4EKMT2AMAPT
SCHEMBL7501333 0.79 CDK2 (0.45) KCNH2MEN1KMT2AMAPTL3MBTL1

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-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