SCHEMBL7337149

SCHEMBL7337149

O=C(N(CCOc1cccc2[nH]c(=O)[nH]c12)Cc1cccc2ccccc12)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
BRAF P15056 3/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
ADRB2 P07550 3/20 0.38
ADRB1 P08588 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
ADRB3 P13945 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 3/20 0.36
HSD17B10 Q99714 1/20 0.36
ALB P02768 1/20 0.36
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
ATM Q13315 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
SCHEMBL8344355 0.90 DRD2 (0.43) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL7335101 0.85 DRD2 (0.55) DRD2DRD4DRD3BRAFADRB2
SCHEMBL7340004 0.82 DRD2 (0.42) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL7334104 0.81 DRD2 (0.45) DRD2DRD4DRD3BRAFADRB2
SCHEMBL7335668 0.81 DRD2 (0.45) DRD2DRD4DRD3BRAFALDH1A1
SCHEMBL7502545 0.81 HTR1A (0.46) DRD2DRD4DRD3ALDH1A1MC4R
SCHEMBL7336204 0.81 DRD2 (0.54) DRD2DRD4DRD3BRAFADRB2
SCHEMBL8452234 0.79 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL7333407 0.79 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL7334805 0.79 DRD2 (0.44) DRD2DRD4DRD3BRAFADRB2

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