SCHEMBL7704246

SCHEMBL7704246

COC(=O)N1CCN(c2c(F)cc(N3C[C@H](CNC(C)=S)OC3=O)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.52
MAOB P27338 6/20 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
F10 P00742 5/20 0.46
TOP2B Q02880 1/20 0.43

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
SCHEMBL7704251 1.00 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7712744 0.93 MAOA (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7712747 0.93 MAOA (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7710449 0.93 MAOB (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7710445 0.93 MAOB (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7710535 0.91 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7710532 0.91 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7704220 0.91 MAOB (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7704225 0.91 MAOB (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7710064 0.90 MAOA (0.45) MAOAMAOBPTGS1SDHALMNA

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