SCHEMBL30867805

SCHEMBL30867805

CC(C)(C)OC(=O)N1CCN(c2ccnn2C2COC2)C2CC21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.33
▸ NR1H3 Q13133 3/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ KCNK3 O14649 1/20 0.32
▸ KCNK9 Q9NPC2 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ AR P10275 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ GPR119 Q8TDV5 3/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30867869 0.81 HDAC1 (0.34) NR1H2NR1H3HSD11B1HDAC1GPR119
SCHEMBL30867870 0.81 NR1H2 (0.34) NR1H2NR1H3HSD11B1ARHDAC1
SCHEMBL30867873 0.81 HDAC1 (0.39) NR1H2NR1H3ARHDAC1USP30
SCHEMBL30911102 0.79 GPR119 (0.48) USP30GPR119
SCHEMBL30867686 0.77 HSD11B1 (0.35) HSD11B1HDAC1GPR119
SCHEMBL38653656 0.77 GPR119 (0.44) GPR119USP2SMN1; SMN2
SCHEMBL38653820 0.69 ACACB (0.36) GPR119
SCHEMBL30172436 0.68 NTRK1 (0.44) —
SCHEMBL4542848 0.68 SMN1; SMN2 (0.46) NR1H2NR1H3GPR119SMN1; SMN2
SCHEMBL15763333 0.68 SMN1; SMN2 (0.46) NR1H2NR1H3GPR119SMN1; SMN2

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
EP-4598917-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF Amgen Inc. (US) 2025-08-13 — — EP disclosed
WO-2024076674-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 — — WO disclosed
Send feedback