SCHEMBL28230641

SCHEMBL28230641

c1ccc(-c2ccccc2CN2CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.80
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
DRD3 P35462 1/20 0.57
DPP4 P27487 1/20 0.57
FAAH O00519 1/20 0.53
MGLL Q99685 1/20 0.53
MPO P05164 1/20 0.53
SIGMAR1 Q99720 2/20 0.52
BACE1 P56817 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
TACR1 P25103 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50

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
SCHEMBL4754254 0.93 HTR7 (0.71) HTR7DRD2DRD4DRD3SIGMAR1
SCHEMBL30108234 0.91 HTR7 (0.69) HTR7DRD2DRD4DRD3HRH3
SCHEMBL15826880 0.91 HTR7 (0.69) HTR7DRD2DRD4DRD3HRH3
SCHEMBL29764254 0.89 HTR7 (1.00) HTR7DRD2DRD4DRD3
SCHEMBL15938148 0.89 HTR7 (1.00) HTR7DRD2DRD4DRD3
SCHEMBL15938089 0.88 HTR7 (0.78) HTR7DRD2DRD4DRD3
SCHEMBL30616744 0.87 HTR7 (0.64) HTR7DRD2DRD4DRD3DPP4
SCHEMBL1111683 0.87 HTR7 (0.64) HTR7DRD2DRD4DRD3DPP4
SCHEMBL29415418 0.87 HTR7 (0.69) HTR7
SCHEMBL2472212 0.87 HTR7 (0.64) HTR7DRD2DRD4DRD3DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108276356-A 3,5- disubstituted thiazole alkane -2- thioketone preparation methods 苏州大学 2018-07-13 CN disclosed