SCHEMBL25569150

SCHEMBL25569150

CCN1CCC(N(C)CC2CCN(C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NOS2 P35228 7/20 0.38
NOS3 P29474 6/20 0.38
NOS1 P29475 6/20 0.38
NCF1 P14598 1/20 0.38
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL10202213 0.89 NCF1 (0.46) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL27267877 0.87 NOS3 (0.38) NOS2NOS3NOS1SMN1; SMN2HTR1D
SCHEMBL24480387 0.86 SMN1; SMN2 (0.33) NOS2NOS3NOS1NCF1SMN1; SMN2
SCHEMBL21101619 0.85 NCF1 (0.46) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL13046392 0.85 KDM4E (0.41) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL23128851 0.83 NCF1 (0.45) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL25489002 0.82 NOS3 (0.36) NOS2NOS3NOS1SMN1; SMN2
SCHEMBL10202212 0.82 NCF1 (0.43) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL24351905 0.81 NCF1 (0.44) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL13046389 0.80 ADRA1B (0.41) KDM4EALDH1A1NOS2NOS3NOS1

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