SCHEMBL28201826

SCHEMBL28201826

C=CC(=O)C(CCC)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
SLC6A3 Q01959 17/20 0.37
SLC6A2 P23975 13/20 0.37
SLC6A4 P31645 8/20 0.36
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL1286434 0.87 SIGMAR1 (0.40) SIGMAR1SLC6A3SLC6A2SLC6A4CHRM5
SCHEMBL29004649 0.80 SIGMAR1 (0.48) SIGMAR1SLC6A3SLC6A2SLC6A4CHRM3
SCHEMBL29926143 0.78 SIGMAR1 (0.47) SIGMAR1SLC6A3SLC6A2SLC6A4CHRM3
SCHEMBL1905214 0.78 SIGMAR1 (0.47) SIGMAR1SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7421187 0.74 SIGMAR1 (0.44) SIGMAR1SLC6A3SLC6A2SLC6A4
SCHEMBL4714481 0.72 SIGMAR1 (0.42) SIGMAR1SLC6A3SLC6A2SLC6A4
SCHEMBL1426567 0.70 OPRD1 (0.35) SIGMAR1CHRM5CHRM3
SCHEMBL28816385 0.70 SIGMAR1 (0.59) SIGMAR1SLC6A3SLC6A2
SCHEMBL12630997 0.70 SIGMAR1 (0.37) SIGMAR1SLC6A3SLC6A2SLC6A4
SCHEMBL27667325 0.70 SIGMAR1 (0.44) SIGMAR1SLC6A3SLC6A2SLC6A4CHRM5

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
CN-107586896-A A kind of thermal stimulus response type acrylic hydrogel leather composite tanning agent and preparation method 浙江盛汇化工有限公司 2018-01-16 CN claimed
CN-107586896-A A kind of thermal stimulus response type acrylic hydrogel leather composite tanning agent and preparation method 浙江盛汇化工有限公司 2018-01-16 CN disclosed