SCHEMBL25599267

SCHEMBL25599267

Cc1noc2c3c(ccc12)CC(C(C)(C)C)CCC3

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
LMNA P02545 2/20 0.31
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 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
SCHEMBL25602077 0.86 KDM4E (0.31) SMN1; SMN2MEN1MAPTKMT2ANPSR1
SCHEMBL25823774 0.83 HCRTR1 (0.35) KDM4EHPGDHRH1DRD3HCRTR1
SCHEMBL25596501 0.80 DRD3 (0.34) HRH1DRD3HCRTR1HCRTR2
SCHEMBL25602212 0.77 HRH1 (0.40) HRH1DRD3
SCHEMBL25595351 0.72 HRH1 (0.32) KDM4EHPGDHRH1DRD3HCRTR1
SCHEMBL25815995 0.71 KDM4E (0.31) SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL25600414 0.69 HRH1 (0.33) HRH1DRD3
SCHEMBL25597203 0.68 DRD3 (0.49) NPSR1MAPK1HRH1DRD3LMNA
SCHEMBL25593002 0.67 PNMT (0.47) HRH1DRD3
SCHEMBL25592128 0.66 DRD3 (0.43) MAPK1KDM4EHRH1DRD3LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed
WO-2023088406-A1 FUSED IMIDE DERIVATIVE 正大天晴药业集团股份有限公司 2023-05-25 WO disclosed