SCHEMBL28970102

SCHEMBL28970102

Brc1cccc2c1CC(N(Cc1ccccc1)Cc1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.47
DRD3 P35462 3/20 0.47
DRD1 P21728 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
DRD4 P21917 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LMNA P02545 1/20 0.38
PMP22 Q01453 1/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
HTR1A P08908 2/20 0.36

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
SCHEMBL841913 0.87 DRD2 (0.51) DRD2DRD3CYP1A2CYP2D6TSHR
SCHEMBL841912 0.87 DRD2 (0.51) DRD2DRD3CYP1A2CYP2D6TSHR
SCHEMBL841199 0.87 DRD2 (0.51) DRD2DRD3CYP1A2CYP2D6TSHR
SCHEMBL7104915 0.72 DRD2 (0.59) DRD2DRD3DRD1CYP1A2CYP3A4
SCHEMBL7024427 0.72 DRD2 (0.68) DRD2DRD3DRD1CYP1A2CYP3A4
SCHEMBL7020915 0.72 DRD2 (0.59) DRD2DRD3DRD1CYP1A2CYP3A4
SCHEMBL7029720 0.72 DRD2 (0.68) DRD2DRD3DRD1CYP1A2CYP3A4
SCHEMBL7022473 0.72 DRD2 (0.59) DRD2DRD3DRD1CYP1A2CYP3A4
SCHEMBL12128220 0.72 DRD3 (0.58) DRD2DRD3TSHRSLC6A2SLC6A4
SCHEMBL7026910 0.70 DRD2 (0.84) DRD2DRD3DRD4HTR1A

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-115806561-A JAK3 selective inhibitors and uses thereof 南京药石科技股份有限公司 2023-03-17 CN disclosed