SCHEMBL25569153

SCHEMBL25569153

CN1CCC(C[C@H]2CCNC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.43
SLC6A1 P30531 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRB2 P47870 2/20 0.38
SLC6A12 P48065 2/20 0.38
SLC6A11 P48066 2/20 0.38
SLC6A13 Q9NSD5 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRA4 P48169 1/20 0.38
GNAO1 P09471 1/20 0.37
HRH3 Q9Y5N1 5/20 0.34
ACHE P22303 4/20 0.34
HRH4 Q9H3N8 4/20 0.34
KCNH2 Q12809 1/20 0.31
TPSAB1 Q15661 1/20 0.30
TPSD1 Q9BZJ3 1/20 0.30
TPSG1 Q9NRR2 1/20 0.30

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
SCHEMBL23416766 1.00 NCF1 (0.43) NCF1SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL19442433 0.90 SLC6A1 (0.41) NCF1SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL4036508 0.90 NCF1 (0.48) NCF1GNAO1HRH3ACHEHRH4
SCHEMBL24881447 0.85 NCF1 (0.48) NCF1GNAO1HRH3ACHEHRH4
SCHEMBL18525560 0.83 NCF1 (0.36) NCF1GNAO1ACHE
SCHEMBL22047606 0.82 NCF1 (0.42) NCF1GNAO1HRH3ACHEHRH4
SCHEMBL25565872 0.82 GNAO1 (0.41) NCF1SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL5668144 0.80
SCHEMBL25570435 0.80 SLC6A1 (0.48) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL757866 0.80 NCF1 (0.62) NCF1GNAO1HRH3ACHEHRH4

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