SCHEMBL7335153

SCHEMBL7335153

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
RECQL P46063 2/20 0.54
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.40
PRSS1 P07477 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 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
SCHEMBL7408359 0.92 NPC1 (0.56) NPC1RAB9ARECQLKDM4EMAPT
SCHEMBL11545573 0.91 NPC1 (0.61) NPC1RAB9ARECQLKDM4EMAPT
SCHEMBL11545932 0.91 NPC1 (0.61) NPC1RAB9ARECQLKDM4EMAPT
SCHEMBL11545921 0.89 NPC1 (0.68) NPC1RAB9ARECQLKDM4EMAPT
SCHEMBL11539115 0.86 NPC1 (0.56) NPC1RAB9ARECQLKDM4EMAPT
SCHEMBL1942075 0.84 NPC1 (0.77) NPC1RAB9ARECQLKDM4EMAPT
SCHEMBL248876 0.84 NPC1 (0.53) NPC1RAB9ARECQLKDM4EMAPT
SCHEMBL215008 0.83 NPC1 (0.56) NPC1RAB9ARECQLKDM4EMAPT
SCHEMBL8052779 0.83 NPC1 (0.56) NPC1RAB9ARECQLKDM4EMAPT
SCHEMBL30967467 0.83 NPC1 (0.56) NPC1RAB9ARECQLKDM4EMAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1138761-C 4-aminoalkoxy-1,3-dihydrobenzoimidazol-2-one derivatives, their preparation and use as dopamine autoreceptor (D2) agonists 2004-02-18 CN disclosed
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
CN-1252793-A 4-aminoalkoxy-1H-benzimidazole derivatives, their preparation and their use as dopamine autoreceptor D2 agonists AMERICAN HOME PROD (US) 2000-05-10 CN disclosed
CN-1252060-A 4-aminoalkoxy-1,3-dihydrobenzoimidazol-2-one derivatives, their preparation and use as dopamine autoreceptor (D2) agonists AMERICAN HOME PROD (US) 2000-05-03 CN disclosed
CN-1252061-A 4-aminoalkoxy-1,3-dihydrobenzoimidazol-2-thiones derivatives, their preparation and use as dopamine autoreceptor (D2) agonists AMERICAN HOME PROD (US) 2000-05-03 CN 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-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
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
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