SCHEMBL27316410

SCHEMBL27316410

C=C(C)C1CCN(C(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.39
▸ CYP2D6 P10635 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ KDM2B Q8NHM5 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
SCHEMBL20885450 0.88 KDM2B (0.41) HRH3CYP2D6KCNH2KDM2B
SCHEMBL26347706 0.88 KDM2B (0.41) HRH3CYP2D6KCNH2KDM2B
SCHEMBL22305194 0.87 HRH3 (0.38) HRH3CYP2D6KCNH2
SCHEMBL21779855 0.79 HRH3 (0.42) HRH3CYP2D6KCNH2KDM2B
SCHEMBL14265647 0.79 HRH3 (0.42) HRH3CYP2D6KCNH2KDM2B
SCHEMBL27420755 0.79 HRH3 (0.42) HRH3CYP2D6KCNH2KDM2B
SCHEMBL22152206 0.79 HRH3 (0.33) HRH3CYP2D6KCNH2
SCHEMBL22152651 0.76 HRH3 (0.32) HRH3
SCHEMBL12258806 0.75 MAPT (0.44) HRH3KDM2B
SCHEMBL7882719 0.75 MAPT (0.44) HRH3KDM2B

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-2024076672-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 — — WO disclosed
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