SCHEMBL30258792

SCHEMBL30258792

Cn1c(=O)[nH]c2ccc(N3CCC(C(=O)OC(C)(C)C)CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
LGMN Q99538 2/20 0.41
HSD17B10 Q99714 1/20 0.39
AURKA O14965 1/20 0.39
PDK2 Q15119 2/20 0.39
GPR119 Q8TDV5 8/20 0.38
BRPF1 P55201 2/20 0.38
MAPT P10636 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL31334578 0.94 OPRM1 (0.41) PDE3BPDE3ALGMNHSD17B10AURKA
SCHEMBL27166330 0.83 GPR119 (0.50) PDK2GPR119MAPT
SCHEMBL21069488 0.82 MAPT (0.50) PDK2GPR119MAPT
SCHEMBL26102409 0.81 SPR (0.36) GPR119BRPF1BRD4
SCHEMBL30289116 0.80 NR1H2 (0.50)
SCHEMBL30289414 0.80 OPRM1 (0.49)
SCHEMBL26206220 0.79 HTR1A (0.42)
SCHEMBL30258401 0.78 PDE3B (0.43) PDE3BPDE3ALGMN
SCHEMBL22502517 0.77 HTR7 (0.41)
SCHEMBL21070672 0.77 PDE3B (0.33) PDE3BPDE3APDK2GPR119BRPF1

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-2023059792-A1 CORONAVIRUS NON-STRUCTURAL PROTEIN 3 DEGRADING COMPOUNDS C4 THRAPEUTICS, INC. (US) 2023-04-13 WO disclosed