SCHEMBL25839739

SCHEMBL25839739

Cc1cccc(C2CC(C)N(C)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2C P28335 3/20 0.47
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
MAOB P27338 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A2 P23975 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
ALOX15B O15296 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL13481229 0.80 BRD4 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7736890 0.80 BRD4 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL14877490 0.80 BRD4 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL25839738 0.79 SLC6A2 (0.36) HTR2CSLC6A4SLC6A3HTR2AHTR2B
SCHEMBL27321176 0.77 HTR2C (0.55) DRD2DRD1DRD4DRD5DRD3
SCHEMBL13652039 0.74 DRD1 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL24112879 0.72 ALDH1A1 (0.49)
SCHEMBL1515269 0.72 HTR2C (0.74) DRD2DRD1DRD4DRD5DRD3
SCHEMBL15829965 0.71 DRD2 (0.60) DRD2DRD1DRD4DRD5DRD3
SCHEMBL11619057 0.70 HTR2C (0.61) DRD2DRD1DRD4DRD5DRD3

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
WO-2023125825-A1 ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 WO disclosed