Thiomorpholine

Thiomorpholine

SCHEMBL7953648

C1CSCCN1.CC(=S)NC[C@H]1CN(c2ccc(N3CCSCC3)cc2)C(=O)O1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.58
MAOB P27338 2/20 0.58
F10 P00742 18/20 0.49
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
CALML3 P27482 1/20 0.47
SDHA P31040 1/20 0.47
ITGB3 P05106 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
ITGA2B P08514 2/20 0.45
PRSS3 P35030 2/20 0.45
F2 P00734 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL7156723 0.94 MAOA (0.64) MAOAMAOBF10LMNAPTGS1
SCHEMBL7156712 0.94 MAOA (0.64) MAOAMAOBF10LMNAPTGS1
SCHEMBL6040345 0.90 MAOA (0.60) MAOAMAOBF10LMNAPTGS1
SCHEMBL6040338 0.90 MAOA (0.60) MAOAMAOBF10LMNAPTGS1
SCHEMBL7955643 0.83 MAOB (0.56) MAOAMAOBF10ITGB3PRSS1
SCHEMBL7955642 0.83 MAOB (0.56) MAOAMAOBF10ITGB3PRSS1
SCHEMBL7157299 0.83 MAOA (0.59) MAOAMAOBF10LMNAPTGS1
SCHEMBL7157295 0.83 MAOA (0.59) MAOAMAOBF10LMNAPTGS1
SCHEMBL8500683 0.83 MAOA (0.56) MAOAMAOBF10ITGB3PRSS1
SCHEMBL8448606 0.83 MAOA (0.56) MAOAMAOBF10ITGB3ITGA2B

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
US-6255304-B1 AIDS THERAPY PHARMACIA & UPJOHN COMPANY 2001-07-03 US claimed