SCHEMBL19209540

SCHEMBL19209540

CC(C)(C)OC(=O)N1CCN(CCC(C)(C)SCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
STS P08842 1/20 0.47
ACKR3 P25106 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
GPR119 Q8TDV5 2/20 0.45
ACHE P22303 1/20 0.44
ABCB1 P08183 1/20 0.43
PRMT5 O14744 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3712707 0.81 MEN1 (0.59) CHRM2CHRM4CHRM1CHRM3GAA
SCHEMBL19230233 0.80 ALDH1A1 (0.50) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL19230249 0.80 ALDH1A1 (0.50) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL7971782 0.79 SIGMAR1 (0.69) ACKR3SIGMAR1
SCHEMBL2862442 0.79 ALDH1A1 (0.60) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL29132198 0.78 MEN1 (0.58) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL7986044 0.77 SIGMAR1 (0.55) CHRM2CHRM4CHRM1CHRM3GAA
SCHEMBL26960504 0.76 MEN1 (0.51) CHRM2CHRM4CHRM1CHRM3STS
SCHEMBL10261934 0.76 CHRM2 (0.55) CHRM2CHRM4CHRM1CHRM3STS
SCHEMBL4720508 0.76 HSD11B1 (0.60) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2

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-2017136769-A1 PEPTIDE DRUG CONJUGATES EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-08-10 WO disclosed
WO-2017136769-A1 PEPTIDE DRUG CONJUGATES EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-08-10 WO disclosed