SCHEMBL25568899

SCHEMBL25568899

CN1CC2CC(CN3CCNCC3)CC2C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCR4 P61073 2/20 0.32
RAD52 P43351 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
CNR1 P21554 1/20 0.31
GNAI3 P08754 3/20 0.30
GNAO1 P09471 3/20 0.30
GNAI1 P63096 3/20 0.30
HSD17B10 Q99714 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
SCHEMBL19782068 0.84 POLB (0.38) POLBSMN1; SMN2CXCR4RAD52SIGMAR1
SCHEMBL24480972 0.82 OPRM1 (0.31) GNAO1
SCHEMBL22565133 0.78
SCHEMBL22566297 0.78
SCHEMBL25565790 0.78 ACHE (0.53) POLBSIGMAR1
SCHEMBL24480857 0.78 ACHE (0.40) POLBSMN1; SMN2CXCR4RAD52SIGMAR1
SCHEMBL25074009 0.77 NCF1 (0.39) POLBSMN1; SMN2CXCR4RAD52SIGMAR1
SCHEMBL18883293 0.77 NCF1 (0.39) POLBSMN1; SMN2CXCR4RAD52SIGMAR1
SCHEMBL945557 0.75 NCF1 (0.45) POLBSMN1; SMN2CXCR4RAD52SIGMAR1
SCHEMBL23874494 0.74 ACHE (0.40) POLBSMN1; SMN2CXCR4RAD52SIGMAR1

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