SCHEMBL7710070

SCHEMBL7710070

CCC(=S)NCC1CN(c2cc(F)c(N3CCN(C(=O)CC#N)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.46
MAOB P27338 5/20 0.44
MAOA P21397 6/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
CALML3 P27482 1/20 0.43
SDHA P31040 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
SCHEMBL7710065 1.00 F10 (0.46) F10MAOBMAOALMNAPTGS1
SCHEMBL7709976 0.91 MAOA (0.49) F10MAOBMAOALMNAPTGS1
SCHEMBL7709980 0.91 MAOA (0.49) F10MAOBMAOALMNAPTGS1
SCHEMBL7707427 0.90 MAOB (0.46) F10MAOBMAOALMNAPTGS1
SCHEMBL7707429 0.90 MAOB (0.46) F10MAOBMAOALMNAPTGS1
SCHEMBL7709906 0.90 F10 (0.46) F10MAOBMAOALMNAPTGS1
SCHEMBL7709903 0.90 F10 (0.46) F10MAOBMAOALMNAPTGS1
SCHEMBL7707213 0.89 F10 (0.59) F10MAOBMAOALMNAPTGS1
SCHEMBL7707211 0.89 F10 (0.59) F10MAOBMAOALMNAPTGS1
SCHEMBL7707302 0.89 F10 (0.43) F10MAOBMAOALMNAPTGS1

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