SCHEMBL7336180

SCHEMBL7336180

Cc1ccc(CN(CCOc2cccc([N+](=O)[O-])c2N)C(=O)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 5/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 2/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 6/20 0.37
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 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 0.91 KCNH2 (0.44) KCNH2KDM4EKMT2AALDH1A1HTT
SCHEMBL7335763 0.91 KCNH2 (0.43) KCNH2RXFP1KDM4EGAATP53
SCHEMBL7336464 0.90 KCNH2 (0.45) KCNH2RXFP1KDM4EKMT2AALDH1A1
SCHEMBL7344178 0.86 KCNH2 (0.43) KCNH2KDM4EKMT2AALDH1A1HTT
SCHEMBL7335484 0.86 THRB (0.38) KCNH2TP53ALDH1A1MAPTPOLB
SCHEMBL7338032 0.82 LMNA (0.43) KCNH2KDM4ETP53KMT2AALDH1A1
SCHEMBL7345118 0.82 KCNH2 (0.50) KCNH2KDM4EKMT2AALDH1A1HTT
SCHEMBL7343282 0.81 KCNH2 (0.39) KCNH2KDM4EGAAKMT2AALDH1A1
SCHEMBL7367752 0.78 KCNH2 (0.43) KCNH2RXFP1KDM4ETP53KMT2A
SCHEMBL7334227 0.78 KCNH2 (0.42) KCNH2KDM4EGAAKMT2AALDH1A1

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