SCHEMBL22993136

SCHEMBL22993136

Cc1ccc(F)c2c1CCN(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
KDM4E B2RXH2 1/20 0.36
CHRNA7 P36544 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
NOTUM Q6P988 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34

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
SCHEMBL3440774 0.88 MAOA (0.43) MAOAMAOBKDM4ECHRNA7CYP1A2
SCHEMBL24762543 0.84 SLC6A2 (0.42) SLC6A2SLC6A3
SCHEMBL8184550 0.80 CYP2C19 (0.38) SLC6A2SLC6A3MAOAMAOBKDM4E
SCHEMBL13184287 0.78 ADRA2A (0.53) CYP2D6ADRA2AADRA2BADRA2CADRA1D
SCHEMBL24253238 0.77 ADRA2A (0.40) MAOAMAOBKDM4ENOTUMADRA2A
SCHEMBL24253218 0.77 KDM4E (0.36) SLC6A2MAOAMAOBKDM4ECHRNA7
SCHEMBL12853675 0.77 SLC6A2 (0.37) SLC6A2SLC6A3MAOAMAOBNOTUM
SCHEMBL21195922 0.76 MAOA (0.48) MAOAMAOBCYP1A2CYP2D6NOTUM
SCHEMBL13184293 0.74 ADRA2A (0.53) CYP2D6ADRA2AADRA2BADRA2CADRA1D
SCHEMBL17815299 0.74 MAOA (0.49) MAOAMAOBKDM4ENOTUMDRD2

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