SCHEMBL7704239

SCHEMBL7704239

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.50
MAOB P27338 6/20 0.50
PTGS1 P23219 2/20 0.50
SDHA P31040 2/20 0.50
LMNA P02545 1/20 0.50
CALML3 P27482 1/20 0.50
F10 P00742 5/20 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
SCHEMBL7704236 1.00 MAOA (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7710472 0.91 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7709964 0.91 MAOB (0.45) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7710468 0.91 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7709959 0.91 MAOB (0.45) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7712535 0.90 MAOA (0.44) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7712530 0.90 MAOA (0.44) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7710534 0.89 MAOB (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7710537 0.89 MAOB (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7704217 0.89 MAOB (0.65) 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