SCHEMBL7712733

SCHEMBL7712733

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.41
MAOA P21397 6/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
F10 P00742 5/20 0.39

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
SCHEMBL7712728 1.00 MAOB (0.41) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710398 0.91 MAOB (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710402 0.91 MAOB (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7704322 0.91 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7704323 0.91 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712553 0.90 MAOB (0.55) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712556 0.90 MAOB (0.55) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7704127 0.89 MAOB (0.43) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710222 0.89 MAOB (0.42) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7704125 0.89 MAOB (0.43) 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