SCHEMBL24317412

SCHEMBL24317412

CSc1cccc2c1CCN(C(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
P2RY1 P47900 1/20 0.36
HTR1A P08908 2/20 0.35
HRH3 Q9Y5N1 3/20 0.35
KCNH2 Q12809 2/20 0.35
ADRA2A P08913 3/20 0.34
ADRA2B P18089 3/20 0.34
ADRA2C P18825 3/20 0.34
SLC6A2 P23975 2/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
HTR2A P28223 2/20 0.34
HTR7 P34969 2/20 0.34
HTR2B P41595 2/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
HTR6 P50406 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL21362951 0.85 KCNH2 (0.37) KMT2AHTR1AHRH3KCNH2MEN1
SCHEMBL22436028 0.79 NOTUM (0.38) KMT2AP2RY1HTR1AHRH3KCNH2
SCHEMBL24316040 0.79 MAOA (0.53) KMT2AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL27010062 0.78 KCNH2 (0.48) P2RY1KCNH2DRD3CSF1RCDK4
SCHEMBL21216374 0.78 BCL2L1 (0.46) P2RY1HRH3KCNH2DRD3KDM4E
SCHEMBL19755625 0.78 HRH3 (0.36) KMT2AP2RY1HTR1AHRH3KCNH2
SCHEMBL21361602 0.78 ADRA2A (0.57) HRH3KCNH2ADRA2AADRA2BADRA2C
SCHEMBL15845886 0.78 CARM1 (0.49) HTR1AHRH3KCNH2ADRA2AADRA2B
SCHEMBL25465443 0.75 ACACB (0.38) P2RY1HTR1AHRH3KCNH2ADRA2A
SCHEMBL25463314 0.75 CSF1R (0.41) P2RY1HTR1AHRH3KCNH2ADRA2A

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-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed