SCHEMBL25819363

SCHEMBL25819363

CC(=O)N1CCC(CCCN2CCN(C(C)C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
KCNH2 Q12809 2/20 0.44
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
CYP2D6 P10635 1/20 0.42
PIK3CD O00329 1/20 0.41
MAOB P27338 4/20 0.38
CCR5 P51681 1/20 0.38
HTR7 P34969 4/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL24475418 0.91 HRH3 (0.46) HRH3KCNH2DRD2DRD3CYP2D6
SCHEMBL26295527 0.87 FAAH (0.46) HRH3KCNH2DRD2DRD3CYP2D6
SCHEMBL26295701 0.85 HRH3 (0.48) HRH3KCNH2DRD2DRD3CYP2D6
SCHEMBL22520620 0.85 MAOB (0.42) HRH3KCNH2DRD2DRD3MAOB
SCHEMBL26295662 0.84 HRH3 (0.48) HRH3KCNH2DRD2DRD3CYP2D6
SCHEMBL18705111 0.82 HRH3 (0.48) HRH3KCNH2CYP2D6PIK3CD
SCHEMBL26295530 0.82 FAAH (0.43) HRH3KCNH2DRD2DRD3CYP2D6
SCHEMBL26494241 0.81 HRH3 (0.41) HRH3KCNH2DRD2DRD3CYP2D6
SCHEMBL26263460 0.81 CHRM1 (0.42) HRH3DRD2DRD3CCR5HTR7
SCHEMBL25075012 0.81 HSD11B1 (0.42) HRH3KCNH2DRD2DRD3CYP2D6

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-2023129564-A9 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
WO-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed