SCHEMBL8105782

SCHEMBL8105782

CC(=O)NCC1CN(c2ccc(-n3ccc(CCCNS(C)(=O)=O)c3)c(F)c2)C(=O)O1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.57
MAOA P21397 6/20 0.57
PTGS1 P23219 2/20 0.57
SDHA P31040 2/20 0.57
LMNA P02545 1/20 0.57
CALML3 P27482 1/20 0.57

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
SCHEMBL8105445 1.00 MAOB (0.57) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8105406 0.89 MAOA (0.63) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8105405 0.89 MAOA (0.63) MAOBMAOAPTGS1SDHALMNA
SCHEMBL14042561 0.85 MAOA (0.65) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7839110 0.85 MAOA (0.67) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7839112 0.85 MAOA (0.67) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8105423 0.82 MAOA (0.58) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8105430 0.82 MAOA (0.58) MAOBMAOAPTGS1SDHALMNA
SCHEMBL13054906 0.82 MAOA (0.62) MAOBMAOAPTGS1SDHALMNA
SCHEMBL14042554 0.82 MAOA (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
US-6124334-A A BACTERICIDE TREATING INFECTIONS CAUSED BY GRAM-POSITIVE AEROBIC BACTERIA SUCH AS STAPHYLOCOCCUS, STREPTOCOCCUS AND ENTEROCOCCUS AS WELL AS ANAEROBIC ORGANISMS SUCH AS BACTEROIDES AND CLOSTRIDIUM AND MYCOBACTERIDIUM PHARMACIA & UPJOHN COMPANY (US) 2000-09-26 US disclosed