SCHEMBL26366228

SCHEMBL26366228

COC[C@@]12CC[C@@H](CNC1)N2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KDM1A O60341 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
NR1H2 P55055 1/20 0.31
PREP P48147 2/20 0.30
DGAT1 O75907 1/20 0.30
HPGD P15428 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL25216428 1.00 CHRM2 (0.38) CHRM2CHRM1CHRM3KDM1ADDB1
SCHEMBL30977190 0.91 CHRM2 (0.36) CHRM2CHRM1CHRM3KDM1ADDB1
SCHEMBL30520676 0.91 CHRM2 (0.36) CHRM2CHRM1CHRM3KDM1ADDB1
SCHEMBL30392186 0.91 CHRM2 (0.36) CHRM2CHRM1CHRM3KDM1ADDB1
SCHEMBL25242987 0.89 CHRM2 (0.36) CHRM2CHRM1CHRM3KDM1ADDB1
SCHEMBL30977192 0.88 CHRM2 (0.39) CHRM2CHRM1CHRM3KDM1ADDB1
SCHEMBL30998687 0.88 CHRM2 (0.39) CHRM2CHRM1CHRM3KDM1ADDB1
SCHEMBL25257754 0.88 CHRM2 (0.39) CHRM2CHRM1CHRM3KDM1ADDB1
SCHEMBL30977195 0.88 CHRM2 (0.39) CHRM2CHRM1CHRM3KDM1ADDB1
SCHEMBL25413842 0.87 CHRM2 (0.37) CHRM2CHRM1CHRM3DDB1CRBN

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
WO-2023173014-A1 KRAS INHIBITORS AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
WO-2023173014-A1 KRAS INHIBITORS AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed