SCHEMBL25565872

SCHEMBL25565872

CN1CC[C@@H](CC2CCNCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 5/20 0.41
NCF1 P14598 1/20 0.40
GBA1 P04062 2/20 0.35
GNAI3 P08754 4/20 0.33
GNAI1 P63096 4/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
ACHE P22303 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SLC6A1 P30531 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31

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
SCHEMBL4036508 0.91 NCF1 (0.48) GNAO1NCF1GBA1GNAI3GNAI1
SCHEMBL19442433 0.88 SLC6A1 (0.41) GNAO1NCF1GBA1CYP2D6CYP1A2
SCHEMBL27267697 0.87 GNAO1 (0.36) GNAO1GBA1GNAI3GNAI1SLC6A1
SCHEMBL25565871 0.84 NCF1 (0.54) GNAO1NCF1GNAI3GNAI1CYP2D6
SCHEMBL22859167 0.84 NCF1 (0.54) GNAO1NCF1GNAI3GNAI1CYP2D6
SCHEMBL25566048 0.84 NCF1 (0.54) GNAO1NCF1GNAI3GNAI1CYP2D6
SCHEMBL12371223 0.84 NCF1 (0.52) NCF1CYP2D6CYP1A2ACHEHRH4
SCHEMBL22047606 0.84 NCF1 (0.42) GNAO1NCF1GNAI3GNAI1CYP2D6
SCHEMBL23416766 0.82 NCF1 (0.43) GNAO1NCF1ACHEHRH4HRH3
SCHEMBL25569153 0.82 NCF1 (0.43) GNAO1NCF1ACHEHRH4HRH3

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