SCHEMBL7335484

SCHEMBL7335484

Cc1ccc(CN(CCOc2cccc(N)c2N)C(=O)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.38
KCNH2 Q12809 1/20 0.38
SLC6A9 P48067 1/20 0.38
POLB P06746 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TP53 P04637 5/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.34
SLC1A5 Q15758 1/20 0.34
PTPN1 P18031 1/20 0.33
NCF1 P14598 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33

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
SCHEMBL7334771 0.90 KDM4E (0.42) KCNH2SLC6A9ALDH1A1L3MBTL1LPAR1
SCHEMBL7367814 0.89 SLC6A9 (0.41) KCNH2SLC6A9TP53ALDH1A1SMN1; SMN2
SCHEMBL7333544 0.89 KCNH2 (0.38) THRBKCNH2SLC6A9POLBTP53
SCHEMBL7336180 0.86 KCNH2 (0.45) KCNH2POLBTP53ALDH1A1SMN1; SMN2
SCHEMBL7343912 0.84 L3MBTL1 (0.44) ALDH1A1MAPK1HSD17B10MAPTL3MBTL1
SCHEMBL7333092 0.80 TRPM8 (0.41) POLBTRPM8TP53
SCHEMBL7333407 0.79 KDM4E (0.41) ALDH1A1HPGDL3MBTL1
SCHEMBL7335668 0.79 DRD2 (0.45) THRBKCNH2SLC6A9ALDH1A1
SCHEMBL8346553 0.78 DRD2 (0.44) THRBKCNH2SLC6A9ALDH1A1L3MBTL1
SCHEMBL7335763 0.76 KCNH2 (0.43) KCNH2SLC6A9POLBTP53ALDH1A1

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