SCHEMBL25463178

SCHEMBL25463178

Cc1cccc2c1CCCc1cnccc1N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
IDO1 P14902 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
DRD4 P21917 1/20 0.36
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL25463175 0.93 HTR5A (0.41) HTR5ASIGMAR1MAPTGAAIDO1
SCHEMBL25463173 0.85 HTR5A (0.42) HTR5AMAPTGAAIDO1L3MBTL1
SCHEMBL25463179 0.82 SIGMAR1 (0.40) SIGMAR1MAPTGAAIDO1L3MBTL1
SCHEMBL20777511 0.75 HTR5A (0.52) HTR5ACDK5CDK5R1ADRA2AADRA2B
SCHEMBL25463089 0.75 SIGMAR1 (0.41) SIGMAR1MAPTGAAIDO1L3MBTL1
SCHEMBL25463088 0.75 HTR5A (0.42) HTR5ASIGMAR1MAPTGAACYP19A1
SCHEMBL18173665 0.74 NPC1 (0.50) HTR5ASIGMAR1MAPTGAAIDO1
SCHEMBL25463176 0.73 CHRNB2 (0.35) SIGMAR1MAPTGAAIDO1L3MBTL1
SCHEMBL30763449 0.73 NPC1 (0.48) HTR5AMAPTGAASMN1; SMN2
SCHEMBL7015184 0.71 MAPT (0.58) SIGMAR1MAPTCYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081812-A2 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed