SCHEMBL28983602

SCHEMBL28983602

COC(=O)COC1CCN(CCCO)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
CHRM3 P20309 9/20 0.36
PTGIR P43119 3/20 0.36
BCHE P06276 2/20 0.36
HTR4 Q13639 2/20 0.35
LMNA P02545 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34

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
SCHEMBL12337279 0.81 SMN1; SMN2 (0.44) SMN1; SMN2CHRM3
SCHEMBL13867376 0.80 RAB9A (0.46) SMN1; SMN2CHRM3
SCHEMBL2114252 0.77 HRH1 (0.40) CHRM3BCHELMNACARM1PRMT6
SCHEMBL2116387 0.77 HRH3 (0.37) SMN1; SMN2CHRM3HTR4LMNA
SCHEMBL26493887 0.76 NPC1 (0.41) BCHEHTR4LMNA
SCHEMBL26119845 0.76
SCHEMBL13867406 0.74 SMN1; SMN2 (0.43) SMN1; SMN2CHRM3
SCHEMBL21068872 0.74 TSHR (0.50) SMN1; SMN2LMNA
SCHEMBL17247792 0.73 TSHR (0.39)
SCHEMBL15120686 0.73 EPHX2 (0.42)

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
CN-115803030-A Compounds and methods for KRAS-targeted degradation 阿维纳斯企业公司 2023-03-14 CN disclosed
EP-4132655-A1 COMPOUNDS AND METHODS FOR TARGETED DEGRADATION OF KRAS Arvinas Operations, Inc. (US) 2023-02-15 EP disclosed