SCHEMBL7710260

SCHEMBL7710260

COC(=S)NCC1CN(c2cc(F)c(N3CCN(C(C)=O)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.56
MAOB P27338 6/20 0.56
LMNA P02545 1/20 0.52
PTGS1 P23219 1/20 0.52
CALML3 P27482 1/20 0.52
SDHA P31040 1/20 0.52
F10 P00742 6/20 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
SCHEMBL7710257 1.00 MAOA (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710449 0.93 MAOB (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710445 0.93 MAOB (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710532 0.91 MAOA (0.58) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710535 0.91 MAOA (0.58) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7160052 0.91 F10 (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7160049 0.91 F10 (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710043 0.90 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710044 0.90 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710459 0.89 F10 (0.48) MAOAMAOBLMNAPTGS1CALML3

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