SCHEMBL8824935

SCHEMBL8824935

COC(=O)N(C)C1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.62
MAOA P21397 6/20 0.62
PTGS1 P23219 2/20 0.62
SDHA P31040 2/20 0.62
LMNA P02545 1/20 0.62
CALML3 P27482 1/20 0.62
F10 P00742 4/20 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
SCHEMBL24574046 0.89 MAOB (0.65) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5472893 0.89 MAOB (0.62) MAOBMAOAPTGS1SDHALMNA
SCHEMBL12477510 0.89 MAOB (0.65) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8824975 0.89 MAOB (0.65) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8824976 0.86 MAOB (0.62) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8825001 0.86 MAOB (0.58) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8824951 0.82 MAOB (0.58) MAOBMAOAPTGS1SDHALMNA
SCHEMBL16011510 0.81 MAOB (0.68) MAOBMAOAPTGS1SDHALMNA
SCHEMBL28837350 0.81 MAOB (0.57) MAOBMAOAPTGS1SDHALMNA
SCHEMBL12006736 0.81 MAOB (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688792-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 1997-11-18 US claimed
US-5688792-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 1997-11-18 US disclosed