SCHEMBL28515231

SCHEMBL28515231

CCCCCCN(C(C)=O)C(=S)SN1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
GNAI3 P08754 8/20 0.38
GNAO1 P09471 8/20 0.38
GNAI1 P63096 8/20 0.38
MGLL Q99685 1/20 0.35
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
FAAH O00519 1/20 0.31
NAAA Q02083 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
Piperazine SCHEMBL28515233 0.75 SIGMAR1 (0.36) SIGMAR1GNAI3GNAO1GNAI1MGLL
SCHEMBL28509231 0.71 SIGMAR1 (0.40) SIGMAR1GNAI3GNAO1GNAI1MGLL
SCHEMBL27618554 0.70 SIGMAR1 (0.46) SIGMAR1GNAI3GNAO1GNAI1FAAH
SCHEMBL28968204 0.69 DNM1 (0.46) CA12CA1CA2CA9
SCHEMBL1671981 0.69 DNM1 (0.46) CA12CA1CA2CA9
SCHEMBL2484241 0.69 DNM1 (0.46) CA12CA1CA2CA9
SCHEMBL2484947 0.69 DNM1 (0.46) CA12CA1CA2CA9
SCHEMBL15334858 0.69 DNM1 (0.46) CA12CA1CA2CA9
SCHEMBL9550793 0.69 DNM1 (0.46) CA12CA1CA2CA9
SCHEMBL9531791 0.68 CA12 (0.44) MGLLCA12CA1CA2CA9

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-112300853-A Environment-friendly gear lubricating oil and preparation method thereof 上海易到润滑油有限公司 2021-02-02 CN disclosed