SCHEMBL25819446

SCHEMBL25819446

CC(C)C(=O)N1CC(CN2CCN(C(C)C)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
KCNH2 Q12809 5/20 0.37
CCR2 P41597 1/20 0.37
HRH3 Q9Y5N1 11/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CHRM1 P11229 2/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL25557772 0.91 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25565483 0.89 HRH3 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22520608 0.86 HRH3 (0.44) KCNH2HRH3CYP2D6KDM4EALDH1A1
SCHEMBL25558060 0.85 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25565194 0.85 PIK3CD (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24475304 0.84 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24669824 0.83 CACNA2D1 (0.41) KCNH2CCR2HRH3CYP2D6KDM4E
SCHEMBL25558598 0.81 KCNH2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25603933 0.80 KCNH2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25603936 0.80 KCNH2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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