SCHEMBL7344558

SCHEMBL7344558

CNc1c(OCCN(Cc2ccccc2)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
KCNH2 Q12809 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 1/20 0.41
SNCA P37840 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7334949 0.85 HDAC3 (0.43) HDAC3HDAC1HDAC2NCOR2KDM4E
SCHEMBL16468182 0.78 HTR1A (0.48) KMT2AKDM4ELMNAALDH1A1HTR1A
SCHEMBL3890333 0.77 LMNA (0.53) KMT2AHDAC3HDAC1HDAC2NCOR2
SCHEMBL1470808 0.77 HDAC3 (0.47) KMT2APOLBHDAC3HDAC1HDAC2
SCHEMBL7334233 0.76 KCNH2 (0.44) KMT2APOLBKCNH2KDM4ELMNA
SCHEMBL30938979 0.76 ALDH1A1 (0.52) KMT2APOLBKDM4EALDH1A1HTT
SCHEMBL16467954 0.75 CHRNB2 (0.49) KMT2AKCNH2LMNAALDH1A1
SCHEMBL7207133 0.73 DRD4 (0.48) KMT2AHDAC3HDAC1HDAC2NCOR2
SCHEMBL5153408 0.73 HDAC3 (0.46) KMT2APOLBHDAC3HDAC1HDAC2
SCHEMBL21996988 0.73 HTR1A (0.57) KMT2APOLBKCNH2KDM4EALDH1A1

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