SCHEMBL21691049

SCHEMBL21691049

Nc1cc(F)c(N2CCC(C3CSC3)CC2)c(F)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.31
SSTR2 P30874 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL240386 0.83 FFAR4 (0.33) MAOASSTR2FFAR4
SCHEMBL21634747 0.81 MAOA (0.39) MAOASSTR2FFAR4
SCHEMBL240318 0.79 SSTR2 (0.38) MAOASSTR2FFAR4
SCHEMBL21634788 0.78 MAOA (0.32) MAOAFFAR4
SCHEMBL21690959 0.78 ALDH1A1 (0.38)
SCHEMBL240298 0.76 ALDH1A1 (0.47) SSTR2
SCHEMBL3045642 0.75 GAA (0.44) MAOA
SCHEMBL23833818 0.74 GAA (0.43) MAOA
SCHEMBL237856 0.73 MAP4K4 (0.35) MAOASSTR2FFAR4
SCHEMBL18396824 0.73 GAA (0.36) MAOA

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
WO-2020021468-A1 SUBSTITUTED OXAZOLIDINONES FOR THE TREATMENT OF MAMMALIAN INFECTIONS CADILA HEALTHCARE LIMITED (IN) 2020-01-30 WO disclosed