SCHEMBL7846470

SCHEMBL7846470

CC(=S)N1CCN(c2ccc(N3C[C@H](CNC(=O)S)OC3=O)cc2F)CC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.67
MAOA P21397 4/20 0.67
PTGS1 P23219 2/20 0.67
SDHA P31040 2/20 0.67
LMNA P02545 1/20 0.67
CALML3 P27482 1/20 0.67
F10 P00742 10/20 0.58

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
SCHEMBL7846473 0.91 MAOB (0.66) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7846476 0.91 MAOB (0.66) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7847099 0.89 MAOB (0.64) MAOBMAOAPTGS1SDHALMNA
SCHEMBL3395064 0.88 MAOB (0.63) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7560992 0.88 MAOB (0.74) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7560985 0.88 MAOB (0.74) MAOBMAOAPTGS1SDHALMNA
SCHEMBL3397357 0.87 MAOB (0.67) MAOBMAOAPTGS1SDHALMNA
SCHEMBL3394916 0.87 MAOB (0.66) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7847408 0.87 MAOB (0.61) MAOBMAOAPTGS1SDHALMNA
Hydrochloric Acid SCHEMBL3396449 0.86 F10 (0.62) MAOBMAOAPTGS1SDHALMNA

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