SCHEMBL28288979

SCHEMBL28288979

CC(C)(C)OC(=O)C1CCN2CCCC12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
OPRK1 P41145 1/20 0.34
CTSK P43235 1/20 0.34
EPHX1 P07099 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CASP3 P42574 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
SCHEMBL30584166 0.81 CHRNB4 (0.42) CHRNB4CHRNA3CHRM4CHRM5CHRM1
SCHEMBL27669020 0.81 CHRNB4 (0.42) CHRNB4CHRNA3CHRM4CHRM5CHRM1
SCHEMBL2098632 0.77 CHRM4 (0.45) CHRNB4CHRNA3CHRM4CHRM5CHRM1
SCHEMBL16757410 0.75 CYP1A2 (0.42) CHRNB4CHRNA3
SCHEMBL16757394 0.74 CHRNB4 (0.41) CHRNB4CHRNA3CHRM4CHRM5CHRM1
SCHEMBL28022336 0.74 GPR119 (0.36) HRH3HSD17B10
SCHEMBL3453171 0.73 PREP (0.41) HRH3HPGDEPHX1HSD17B10
SCHEMBL6262157 0.72 MEN1 (0.40) CHRNB4CHRNA3CHRM4CHRM5CHRM1
SCHEMBL14061760 0.72 MEN1 (0.40) CHRNB4CHRNA3CHRM4CHRM5CHRM1
SCHEMBL11483634 0.72 ALDH1A1 (0.44) CHRM4CHRM5CHRM1CHRM3

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
CN-109562111-A CK2 inhibitor, its composition and method 北极星药业股份有限公司 2019-04-02 CN disclosed