SCHEMBL28511449

SCHEMBL28511449

CC(O)N1CCNCC1.CCSS(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
OPRD1 P41143 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL510148 0.84 CHRM2 (0.36) CHRM5CHRM3CHRM2CHRM1OPRD1
SCHEMBL27711825 0.83 CHRM2 (0.36) CHRM5CHRM3CHRM2CHRM1OPRD1
Sulfuric Acid SCHEMBL27952192 0.82 CHRM2 (0.39) CHRM5CHRM3CHRM2CHRM1OPRD1
Alcohol SCHEMBL28979375 0.81 CHRM2 (0.35) CHRM5CHRM3CHRM2CHRM1OPRD1
SCHEMBL29191877 0.80 SMN1; SMN2 (0.31) CHRM2CHRM1SMN1; SMN2
SCHEMBL6482532 0.79 SIGMAR1 (0.36) CHRM5CHRM3CHRM2CHRM1OPRD1
Propane SCHEMBL3983224 0.78 SMN1; SMN2 (0.39) CHRM5CHRM3OPRD1SIGMAR1SMN1; SMN2
SCHEMBL29143600 0.78 CHRM5 (0.36) CHRM5CHRM3CHRM2CHRM1OPRD1
SCHEMBL11027147 0.77 SMN1; SMN2 (0.33) CHRM5CHRM3CHRM2CHRM1OPRD1
Alcohol SCHEMBL9343023 0.77 SMN1; SMN2 (0.38) CHRM5CHRM3OPRD1SIGMAR1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111657267-B Ice-free crystal frozen preservation solution and freezing method for preservation of cartilage, tendon and meniscus 科瑞百奥泰州生物技术有限公司 2021-02-02 CN disclosed