SCHEMBL29133431

SCHEMBL29133431

Cn1c2c(c3ccccc31)CCN(CCCCc1ccc3ccc(=O)oc3c1)C2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 7/20 0.56
DRD2 P14416 2/20 0.46
HTR7 P34969 1/20 0.46
DRD4 P21917 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43

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 1.00 HTR5A (0.56) HTR5ADRD2HTR7DRD4CA12
SCHEMBL29133429 0.81 HTR5A (0.52) HTR5ADRD2HTR7DRD4
SCHEMBL30704357 0.79 HTR5A (0.64) HTR5ADRD2
SCHEMBL29133409 0.79 HTR5A (0.64) HTR5ADRD2
Bromide SCHEMBL28066351 0.73 HTR5A (0.68) HTR5AHTR7
SCHEMBL6367185 0.71 PARP1 (0.58) HTR5AHTR7
SCHEMBL6404364 0.70 PARP1 (0.51) HTR5AHTR7
SCHEMBL22944855 0.70 HTR5A (0.67) HTR5A
SCHEMBL29133438 0.68 HTR5A (0.61) HTR5ADRD2
SCHEMBL30704356 0.68 HTR5A (0.61) HTR5ADRD2

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