SCHEMBL30872479

SCHEMBL30872479

COC1(n2ncc(C)c2C2=CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 11/20 0.46
▸ GRM5 P41594 11/20 0.46
▸ PDK4 Q16654 1/20 0.43
▸ NAMPT P43490 1/20 0.41
▸ CYP11B2 P19099 1/20 0.40
▸ HTR6 P50406 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL31703338 0.86 GRM1 (0.46) GRM1GRM5PDK4NAMPTCYP11B2
SCHEMBL30867744 0.78 GRM1 (0.46) GRM1GRM5PDK4NAMPTCYP11B2
SCHEMBL31283151 0.77 GRM1 (0.47) GRM1GRM5PDK4NAMPTCYP11B2
SCHEMBL30872359 0.74 MAPT (0.47) —
SCHEMBL2517844 0.72 GRM1 (0.47) GRM1GRM5PDK4NAMPTCYP11B2
SCHEMBL15756310 0.72 GRM1 (0.55) GRM1GRM5PDK4NAMPTCYP11B2
SCHEMBL20135287 0.70 GRM1 (0.52) GRM1GRM5PDK4NAMPTCYP11B2
SCHEMBL8912847 0.70 NAMPT (0.63) GRM1GRM5PDK4NAMPTCYP11B2
SCHEMBL23411394 0.70 GRM1 (0.53) GRM1GRM5PDK4NAMPTCYP11B2
SCHEMBL16992156 0.70 GRM1 (0.52) GRM1GRM5PDK4NAMPTCYP11B2

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-4598916-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF Amgen Inc. (US) 2025-08-13 — — EP disclosed
WO-2024076672-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 — — WO disclosed
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