SCHEMBL9752338

SCHEMBL9752338

CC(C)(C)OC(=O)N1[C@@H](C#CCN2C(=O)CCC2O)COC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.42
HSD11B2 P80365 1/20 0.34
BRD4 O60885 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
DDB1 Q16531 2/20 0.32
CRBN Q96SW2 2/20 0.32
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31

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
SCHEMBL9752318 0.84 SPHK1 (0.45) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL10272353 0.78 SPHK1 (0.54) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL10272352 0.78 SPHK1 (0.54) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL9752336 0.78 SPHK1 (0.51) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL14314018 0.78 SPHK1 (0.54) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL9752339 0.77 CHRM2 (0.42) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL9752754 0.76 CHRM2 (0.44) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL25148798 0.74 SPHK1 (0.48) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL11956429 0.74 SPHK1 (0.48) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL10223487 0.73 SPHK1 (0.47) SPHK1HSD11B2BRD4CHRM2CHRM1

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-1991000724-A1 ALKYNYL AMINES THAT REGULATE CHOLINERGIC NEUROTRANSMISSION ABBOTT LABORATORIES (US) 1991-01-24 WO disclosed