SCHEMBL25429671

SCHEMBL25429671

CC(C)(C)OC(=O)N1CCCC(O)(c2c[nH]c3ncccc23)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.42
POLB P06746 1/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
JAK3 P52333 2/20 0.40
DTYMK P23919 1/20 0.40
CYP11B2 P19099 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MAP2K1 Q02750 1/20 0.39

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
SCHEMBL30509700 1.00 HSD11B1 (0.42) HSD11B1POLBDRD2DRD4DRD3
SCHEMBL25307353 0.86 CYP11B2 (0.38) HSD11B1POLBDRD2DRD4DRD3
SCHEMBL30509709 0.85 CYP11B2 (0.39) HSD11B1POLBDRD2DRD4DRD3
SCHEMBL25426035 0.85 CYP11B2 (0.39) HSD11B1POLBDRD2DRD4DRD3
SCHEMBL25866544 0.82 MAP2K1 (0.39) HSD11B1POLBDRD2DRD4DRD3
SCHEMBL25427796 0.81 HSD11B1 (0.41) HSD11B1POLBJAK3DTYMKMAP2K1
SCHEMBL30509712 0.81 HSD11B1 (0.41) HSD11B1POLBJAK3DTYMKMAP2K1
SCHEMBL30509683 0.81 HSD11B1 (0.42) HSD11B1POLBJAK3DTYMKMAP2K1
SCHEMBL25428242 0.81 HSD11B1 (0.42) HSD11B1POLBJAK3DTYMKMAP2K1
SCHEMBL7470277 0.79 GPR119 (0.46) POLBDTYMKCYP11B2MKNK1

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