SCHEMBL25866544

SCHEMBL25866544

CC(C)(C)OC(=O)N1CC(O)(c2c[nH]c3ncccc23)CCC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.39
JAK3 P52333 2/20 0.39
DRD4 P21917 4/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
HSD11B1 P28845 7/20 0.38
JAK1 P23458 2/20 0.35
POLB P06746 1/20 0.34
DTYMK P23919 1/20 0.34
MTNR1A P48039 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL25429671 0.82 HSD11B1 (0.42) MAP2K1JAK3DRD4DRD2DRD3
SCHEMBL30509700 0.82 HSD11B1 (0.42) MAP2K1JAK3DRD4DRD2DRD3
SCHEMBL30509709 0.80 CYP11B2 (0.39) MAP2K1DRD4DRD2DRD3HSD11B1
SCHEMBL25426035 0.80 CYP11B2 (0.39) MAP2K1DRD4DRD2DRD3HSD11B1
SCHEMBL25307353 0.78 CYP11B2 (0.38) MAP2K1JAK3DRD4DRD2DRD3
SCHEMBL25427796 0.76 HSD11B1 (0.41) MAP2K1JAK3HSD11B1JAK1POLB
SCHEMBL30509712 0.76 HSD11B1 (0.41) MAP2K1JAK3HSD11B1JAK1POLB
SCHEMBL25428242 0.75 HSD11B1 (0.42) MAP2K1JAK3HSD11B1JAK1POLB
SCHEMBL30509683 0.75 HSD11B1 (0.42) MAP2K1JAK3HSD11B1JAK1POLB
SCHEMBL12509444 0.73 HSD11B1 (0.62) MAP2K1DRD4DRD2DRD3HSD11B1

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-2023141225-A1 FUSED HETEROCYCLES AS 5-HT2A RECEPTOR AGONISTS ONSERO THERAPEUTICS INC. (US) 2023-07-27 WO disclosed