SCHEMBL28509231

SCHEMBL28509231

CCCCCCN(C(=S)SC(C)=O)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

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
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
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
SCHEMBL27618554 0.82 SIGMAR1 (0.46) SIGMAR1GNAI3GNAO1GNAI1HRH2
SCHEMBL5731593 0.72 SIGMAR1 (0.49) SIGMAR1GNAI3GNAO1GNAI1HRH2
SCHEMBL28515231 0.71 SIGMAR1 (0.40) SIGMAR1GNAI3GNAO1GNAI1MGLL
SCHEMBL28199273 0.66 SIGMAR1 (0.36) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL11020886 0.66 SIGMAR1 (0.36) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL19040775 0.66 GNAO1 (0.43) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL6066343 0.66 GNAI3 (0.38) SIGMAR1GNAI3GNAO1GNAI1FAAH
SCHEMBL2249240 0.65 SIGMAR1 (0.42) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL11020880 0.64 SIGMAR1 (0.36) SIGMAR1
SCHEMBL5369797 0.63 TACR1 (0.55) SIGMAR1GNAI3GNAO1GNAI1

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 3 patents. 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 claimed
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
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