SCHEMBL6884893

SCHEMBL6884893

CC(C)N(C(=O)c1ccc2ccccc2c1)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.57
SLC6A2 P23975 3/20 0.57
HPGD P15428 4/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MCOLN3 Q8TDD5 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
SLC6A3 Q01959 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KCNH2 Q12809 2/20 0.50
HTR2C P28335 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
EGFR P00533 1/20 0.47

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
SCHEMBL12810779 0.84 HPGD (0.55) SLC6A4SLC6A2HPGDKDM4EALDH1A1
SCHEMBL1415083 0.83 LMNA (0.47) SLC6A4SLC6A2HPGDKDM4EALDH1A1
SCHEMBL7011836 0.79 CES2 (0.61) SLC6A4HPGDKDM4EALDH1A1MAPT
SCHEMBL3302319 0.78 CES2 (0.59) HPGDKDM4EALDH1A1MAPTCES2
SCHEMBL458409 0.77 NPSR1 (0.59) HPGDKDM4EALDH1A1MCOLN3MAPT
SCHEMBL22980975 0.76 CES2 (0.57) SLC6A4HPGDKDM4EALDH1A1MAPT
SCHEMBL7405569 0.76 CES2 (0.47) SLC6A4SLC6A2HPGDKDM4EALDH1A1
SCHEMBL759389 0.76 CES2 (0.61) SLC6A4SLC6A2HPGDKDM4EALDH1A1
SCHEMBL14052528 0.75 HPGD (0.64) HPGDALDH1A1MAPTLMNACES2
Hydrochloric Acid SCHEMBL3759428 0.75 NPSR1 (0.57) HPGDKDM4EALDH1A1MCOLN3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1639130-B Process for preparing fused imidazole compounds, rifumassiy reagent in stable form and process for preparing same TAKAEDA CHEMICAL IND LTD 2012-07-18 CN disclosed
CN-100588649-C Prepare the method for condensed imidazole compound, reformatsky reagent having of stable form and preparation method thereof TAKEDA CHEMICAL INDUSTRIES LTD 2010-02-10 CN disclosed
CN-100572363-C Imdazole derivatives, Its Preparation Method And Use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2009-12-23 CN disclosed
CN-1329394-C Novel imidazole derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2007-08-01 CN disclosed
CN-1923816-A Method for producing condensed imidazole compound, reformatsky reagent having stable form and production thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2007-03-07 CN disclosed
CN-1900079-A New imidazole derivative, method for producing the same and use of the same TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2007-01-24 CN disclosed
CN-1680336-A New imidazole derivative, method for producing the same and use of the same TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-12 CN disclosed
CN-1639130-A Process for preparing fused imidazole compounds, rifumassiy reagent in stable form and process for preparing same TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-07-13 CN disclosed
EP-1471056-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME Takeda Chemical Industries, Ltd. (JP) 2004-10-27 EP disclosed
CN-1474819-A Novel imidazole derivatives, process for producing the same and use thereof ����ҩƷ��ҵ��ʽ���� 2004-02-11 CN disclosed