SCHEMBL7704124

SCHEMBL7704124

CC(C)C(=O)NCC1CN(c2cccc(N3CCOC[C@@H]3F)c2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.49
MAOA P21397 3/20 0.49
LMNA P02545 1/20 0.49
PTGS1 P23219 1/20 0.49
CALML3 P27482 1/20 0.49
SDHA P31040 1/20 0.49
F10 P00742 13/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ABCB11 O95342 1/20 0.42
F2 P00734 1/20 0.42
ST14 Q9Y5Y6 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
SCHEMBL6687198 0.91 F10 (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6687204 0.91 F10 (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6687197 0.91 F10 (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL27875818 0.90 MAOA (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL27707418 0.90 MAOA (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL483916 0.90 MAOA (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7790986 0.87 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7157296 0.87 MAOB (0.49) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7157301 0.87 MAOB (0.49) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6691779 0.87 MAOB (0.49) 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 disclosed