SCHEMBL23950879

SCHEMBL23950879

CC(C)(C)OC(=O)C[C@@H]1C[C@H](O)CCN1C(O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL23950733 0.77 CHRM2 (0.44) CHRM2CHRM1CHRM3
SCHEMBL24024276 0.77 CHRM2 (0.44) CHRM2CHRM1CHRM3
SCHEMBL23926142 0.77 CHRM2 (0.38) CHRM2CHRM1CHRM3
SCHEMBL25066653 0.70 CHRM2 (0.37) CHRM2CHRM1CHRM3
SCHEMBL22737961 0.70 FFAR1 (0.38)
SCHEMBL30218180 0.69 GBA2 (0.36) CHRM2CHRM1CHRM3
SCHEMBL19021611 0.69
SCHEMBL23006552 0.68
SCHEMBL26724232 0.68 CHRM3 (0.38) CHRM3
SCHEMBL24896835 0.67

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-2021211864-A1 FUSED TRICYCLIC KRAS INHIBITORS INCYTE CORPORATION (US) 2021-10-21 WO disclosed