SCHEMBL7704353

SCHEMBL7704353

CC(=S)NCC1CN(c2ccc(N3CCN(C(=O)COCc4ccccc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.57
MAOA P21397 4/20 0.57
LMNA P02545 1/20 0.57
PTGS1 P23219 1/20 0.57
CALML3 P27482 1/20 0.57
SDHA P31040 1/20 0.57
F10 P00742 8/20 0.57
GRM5 P41594 3/20 0.56

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
SCHEMBL7704352 1.00 MAOB (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712752 0.95 F10 (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712749 0.95 F10 (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3392624 0.95 F10 (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710118 0.93 F10 (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710121 0.93 F10 (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710094 0.93 F10 (0.54) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710098 0.93 F10 (0.54) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707227 0.92 F10 (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707230 0.92 F10 (0.57) MAOBMAOALMNAPTGS1CALML3

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-6362189-B1 GRAMNEGATIVE, GRAMPOSITIVE BACTERIA PHARMACIA AND UPJOHN COMPANY 2002-03-26 US claimed