SCHEMBL8863005

SCHEMBL8863005

CC(=O)N(C)C1CN(c2ccc(N3CCNCC3)c(F)c2)C(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.54
MAOB P27338 11/20 0.52
MAOA P21397 5/20 0.52
PTGS1 P23219 2/20 0.52
SDHA P31040 2/20 0.52
LMNA P02545 1/20 0.52
CALML3 P27482 1/20 0.52
KCNH2 Q12809 1/20 0.42

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
Hydrochloric Acid SCHEMBL8574357 0.99 F10 (0.53) F10MAOBMAOAPTGS1SDHA
SCHEMBL6506664 0.92 F10 (0.54) F10MAOBMAOAPTGS1SDHA
SCHEMBL3395911 0.89 F10 (0.51) F10MAOBMAOAPTGS1SDHA
SCHEMBL7846944 0.89 F10 (0.51) F10MAOBMAOAPTGS1SDHA
SCHEMBL24574046 0.89 MAOB (0.65) F10MAOBMAOAPTGS1SDHA
SCHEMBL12477510 0.89 MAOB (0.65) F10MAOBMAOAPTGS1SDHA
SCHEMBL8824975 0.89 MAOB (0.65) F10MAOBMAOAPTGS1SDHA
SCHEMBL8350534 0.88 MAOB (0.66) F10MAOBMAOAPTGS1SDHA
SCHEMBL1805573 0.87 MAOB (0.53) F10MAOBMAOAPTGS1SDHA
SCHEMBL8352069 0.87 F10 (0.54) F10MAOBMAOAPTGS1SDHA

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-5700799-A MICROBIOCIDES FOR TREATING HUMAN OR ANIMAL DISEASES PHARMACIA & UPJOHN COMPANY (US) 1997-12-23 US disclosed