SCHEMBL29133429

SCHEMBL29133429

Cn1c2c(c3ccccc31)CCN(CCCCc1ccc3[nH]c(=O)ccc3c1)C2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.52
HTR7 P34969 1/20 0.47
GRIN2B Q13224 1/20 0.42
HTR1A P08908 3/20 0.42
DRD2 P14416 3/20 0.42
HTR2A P28223 3/20 0.42
PARP1 P09874 1/20 0.42
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL30704377 0.81 HTR5A (0.56) HTR5AHTR7DRD2DRD4
SCHEMBL29133431 0.81 HTR5A (0.56) HTR5AHTR7DRD2DRD4
SCHEMBL30704344 0.79 HTR5A (0.61) HTR5AHTR1ADRD2HTR2ADRD1
SCHEMBL6404364 0.77 PARP1 (0.51) HTR5AHTR7GRIN2BPARP1
SCHEMBL30704343 0.74 HTR5A (0.64) HTR5AHTR1ADRD2HTR2ADRD1
SCHEMBL29133407 0.73 DRD3 (0.59) HTR1ADRD2HTR2ADRD4HTR2C
SCHEMBL6367185 0.72 PARP1 (0.58) HTR5AHTR7PARP1
SCHEMBL10838310 0.72 SIGMAR1 (0.63) HTR7HTR1ADRD2HTR2AHTR2C
Bromide SCHEMBL28066351 0.72 HTR5A (0.68) HTR5AHTR7HTR1A
Hydrochloric Acid SCHEMBL10836549 0.72 SIGMAR1 (0.62) HTR7HTR1ADRD2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117327065-A Carbazole derivatives as dopamine D2/3 receptor modulators 北京大学 2024-01-02 CN claimed
CN-117327065-A Carbazole derivatives as dopamine D2/3 receptor modulators 北京大学 2024-01-02 CN disclosed