SCHEMBL7710504

SCHEMBL7710504

CCC(C)C(=S)NCC1CN(c2ccc(N3CCN(C(=O)OC)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.58
MAOA P21397 4/20 0.58
PTGS1 P23219 2/20 0.58
SDHA P31040 2/20 0.58
LMNA P02545 1/20 0.58
CALML3 P27482 1/20 0.58
F10 P00742 10/20 0.53

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
SCHEMBL7710500 1.00 MAOB (0.58) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7710495 1.00 MAOB (0.58) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7712594 0.94 MAOB (0.57) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7712602 0.94 MAOB (0.57) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7712599 0.94 MAOB (0.57) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7710503 0.93 MAOB (0.60) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7710508 0.93 MAOB (0.60) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7707221 0.92 MAOB (0.66) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7707219 0.92 MAOB (0.66) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7707217 0.92 MAOB (0.66) 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
US-6362189-B1 GRAMNEGATIVE, GRAMPOSITIVE BACTERIA PHARMACIA AND UPJOHN COMPANY 2002-03-26 US claimed