SCHEMBL22993430

SCHEMBL22993430

Cc1ccc2c(c1F)CN(C)CC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.46
MAOB P27338 2/20 0.46
DRD2 P14416 4/20 0.41
DRD1 P21728 4/20 0.41
DRD5 P21918 4/20 0.41
DRD3 P35462 4/20 0.41
DRD4 P21917 1/20 0.41
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL22993443 0.86 MAOA (0.46) MAOAMAOBDRD2DRD1DRD5
SCHEMBL24253322 0.78 MAOA (0.42) MAOAMAOBDRD2DRD1DRD5
SCHEMBL24253472 0.76 MAOA (0.40) MAOAMAOBDRD2DRD1DRD5
SCHEMBL7957052 0.74 MAOA (0.59) MAOAMAOBDRD2DRD1DRD5
SCHEMBL24913963 0.74 MAOA (0.44) MAOAMAOBDRD2DRD1DRD5
SCHEMBL17462479 0.73 ADRA2A (0.48) MAOAMAOBDRD2DRD1DRD5
SCHEMBL12363777 0.73 MAOA (0.57) MAOAMAOBDRD2DRD1DRD5
SCHEMBL22993136 0.73 SLC6A2 (0.38) MAOAMAOBDRD2DRD1DRD5
SCHEMBL24556384 0.72 CES1 (0.41) DRD4
SCHEMBL20244672 0.72 CES1 (0.37) DRD4

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