SCHEMBL25559296

SCHEMBL25559296

COC[C@@H]1CCN1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 1/20 0.32
▸ PDK1 Q15118 2/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ PDK3 Q15120 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
SCHEMBL23583700 1.00 CHRM3 (0.32) CHRM3PDK1PDK2PDK3
SCHEMBL24176143 1.00 CHRM3 (0.32) CHRM3PDK1PDK2PDK3
SCHEMBL1106480 0.88 CHRM3 (0.41) CHRM3
SCHEMBL278415 0.88 CHRM3 (0.41) CHRM3
SCHEMBL57317 0.88 CHRM3 (0.41) CHRM3
SCHEMBL16812144 0.86 CHRM3 (0.38) CHRM3
SCHEMBL21625307 0.81 CHRM3 (0.32) CHRM3
SCHEMBL21625301 0.81 CHRM3 (0.32) CHRM3
SCHEMBL22388196 0.78 CHRM3 (0.30) CHRM3
SCHEMBL18471532 0.76 PDK1 (0.51) PDK1PDK2PDK3

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-2023086383-A1 SELECT KRAS G12C INHIBITORS AND USES THEREOF 1200 PHARMA LLC (US) 2023-05-19 — — WO disclosed
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