SCHEMBL6933884

SCHEMBL6933884

CCC(=O)NC[C@H]1CN(c2ccc3c(c2)sc(=O)n3C)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.47
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46

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
SCHEMBL6513194 0.86 F10 (0.44) F10MAOBMAOALMNAPTGS1
SCHEMBL6513198 0.86 F10 (0.44) F10MAOBMAOALMNAPTGS1
SCHEMBL78782 0.86 F10 (0.67) F10
SCHEMBL6508870 0.86 MAOB (0.43) F10MAOBMAOALMNAPTGS1
SCHEMBL6508866 0.86 MAOB (0.43) F10MAOBMAOALMNAPTGS1
SCHEMBL7814509 0.83 MAOA (0.55) MAOBMAOACALML3
SCHEMBL79733 0.81 F10 (0.50) F10MAOBMAOA
SCHEMBL6511456 0.81 F10 (0.44) F10MAOBMAOALMNAPTGS1
SCHEMBL6511460 0.81 F10 (0.44) F10MAOBMAOALMNAPTGS1
Hydrochloric Acid SCHEMBL8124261 0.80 F10 (0.49) F10MAOBMAOACALML3

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
EP-1045709-B1 METHOD AND DEVICE FOR IN-SITU FORMULATION OF A MEDICINAL SOLUTION FOR PARENTERAL APPLICATION BAYER AG (DE) 2003-12-03 EP disclosed
US-6540715-B1 Method and device for in-situ formulation of a medicinal solution for parenteral application BAYER AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed