SCHEMBL7847879

SCHEMBL7847879

O=C1OC(CO)CN1c1ccc(N2CCSCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
CALML3 P27482 6/20 0.49
F10 P00742 6/20 0.47
GRM2 Q14416 3/20 0.46
F2 P00734 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
SCHEMBL7847873 1.00 MAOA (0.53) MAOAMAOBCALML3F10GRM2
SCHEMBL7838893 0.86 F10 (0.61) MAOAMAOBF10GRM2
SCHEMBL7838895 0.86 F10 (0.61) MAOAMAOBF10GRM2
SCHEMBL5833811 0.86 F10 (0.57) MAOAMAOBCALML3F10GRM2
SCHEMBL76850 0.86 MAOA (0.56) MAOAMAOBCALML3F10GRM2
SCHEMBL5833809 0.86 F10 (0.57) MAOAMAOBCALML3F10GRM2
SCHEMBL3578748 0.84 MAOA (0.54) MAOAMAOBCALML3F10GRM2
SCHEMBL3578746 0.84 MAOA (0.54) MAOAMAOBCALML3F10GRM2
SCHEMBL13159142 0.83 MAOA (0.53) MAOAMAOBCALML3F10GRM2
SCHEMBL8306793 0.83 MAOB (0.73) MAOAMAOBCALML3F10

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
EP-1130016-A1 THIOCARBAMIC ACID DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2001-09-05 EP disclosed