SCHEMBL3399467

SCHEMBL3399467

CC(C)N1CCN(Cc2cnc(-c3cccc4ccccc34)[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.46
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
HTR1A P08908 1/20 0.44
HTR3A P46098 1/20 0.44
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.42
MC4R P32245 1/20 0.40
TNIK Q9UKE5 1/20 0.39
LMNA P02545 1/20 0.39
ACHE P22303 1/20 0.39
FGFR3 P22607 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC2A1 P11166 1/20 0.37
MAOB P27338 2/20 0.37

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
SCHEMBL3406108 0.96 DRD4 (0.42) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL3405782 0.86 DRD4 (0.46) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL3397927 0.83 DRD4 (0.46) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL3404838 0.82 LMNA (0.39) MC4RTNIKLMNAACHEKDM4E
SCHEMBL3401312 0.80 MC4R (0.47) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL13030653 0.80 CYP2D6 (0.45) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL3403443 0.80 SIGMAR1 (0.47) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL3405212 0.80 SIGMAR1 (0.49) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL3403604 0.78 DRD4 (0.42) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL3400917 0.77 ALDH1A1 (0.46) DRD4DRD2DRD3HTR1AHTR3A

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-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed