SCHEMBL25565871

SCHEMBL25565871

CN1CCC(C[C@H]2CCN(C)C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.54
ACHE P22303 5/20 0.40
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
HRH4 Q9H3N8 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 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
SCHEMBL22859167 1.00 NCF1 (0.54) NCF1ACHECYP2D6CYP1A2HRH3
SCHEMBL25566048 1.00 NCF1 (0.54) NCF1ACHECYP2D6CYP1A2HRH3
SCHEMBL12371223 0.95 NCF1 (0.52) NCF1ACHECYP2D6CYP1A2HRH3
SCHEMBL27267695 0.92 NCF1 (0.52) NCF1ACHECYP2D6CYP1A2HRH3
SCHEMBL757866 0.92 NCF1 (0.62) NCF1ACHECYP2D6CYP1A2HRH3
SCHEMBL18636207 0.91 NCF1 (0.46) NCF1ACHECYP2D6CYP1A2HRH3
SCHEMBL19892365 0.88 NCF1 (0.43) NCF1ACHECYP2D6CYP1A2HRH3
SCHEMBL25565872 0.84 GNAO1 (0.41) NCF1ACHECYP2D6CYP1A2HRH3
SCHEMBL27269253 0.83 NCF1 (0.43) NCF1ACHEHRH3HRH4CHRM3
SCHEMBL8363126 0.82 NCF1 (0.52) NCF1ACHECYP1A2HRH3HRH4

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-2023083194-A1 WEE1 PROTEIN KINASE DEGRADATION AGENT AND USE THEREOF 杭州格博生物医药有限公司 2023-05-19 WO disclosed