SCHEMBL26416181

SCHEMBL26416181

CC(C)(C)OC(=O)N1CC(I)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
NR1H2 P55055 1/20 0.37
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM1A O60341 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.33
HPGD P15428 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL21452961 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL6442167 0.81 CHRM2 (0.53) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL433051 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL3744023 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL3744207 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL24364276 0.81 MEN1 (0.42) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL18878053 0.81 CHRM2 (0.53) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL3738809 0.81 CHRM2 (0.53) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL3733652 0.79 MEN1 (0.41) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL20187325 0.79 CHRM2 (0.40) CHRM2CHRM1CHRM3MEN1KMT2A

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
EP-3544972-B1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER (US) 2023-04-26 EP disclosed