SCHEMBL22993446

SCHEMBL22993446

Cc1ccc2c(c1Cl)CCN(C)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.48
DRD1 P21728 4/20 0.48
DRD5 P21918 4/20 0.48
DRD3 P35462 3/20 0.48
DRD4 P21917 2/20 0.48
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
CYP2D6 P10635 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KAT2B Q92831 1/20 0.41
BRD9 Q9H8M2 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
SCHEMBL23022305 0.79 ADRA2A (0.47) DRD2DRD1DRD5DRD3DRD4
SCHEMBL22993443 0.79 MAOA (0.46) DRD2DRD1DRD5DRD3DRD4
SCHEMBL24253232 0.78 DRD2 (0.44) DRD2DRD1DRD5DRD3DRD4
SCHEMBL22993617 0.78 HTR2C (0.47) DRD2DRD1DRD5DRD3DRD4
SCHEMBL12060481 0.77 DRD2 (0.41) DRD2DRD1DRD5DRD3DRD4
SCHEMBL24253534 0.74 HTR2C (0.42) DRD2DRD1DRD5DRD3DRD4
SCHEMBL12363802 0.74 MAOA (0.59) DRD2DRD1DRD5DRD3DRD4
SCHEMBL29507212 0.74 MAOA (0.59) DRD2DRD1DRD5DRD3DRD4
SCHEMBL14473194 0.74 ADRA2A (0.46) DRD2DRD1DRD5DRD3DRD4
SCHEMBL15445337 0.74 DRD2 (0.48) DRD2DRD1DRD5DRD3DRD4

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
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed