SCHEMBL10068627

SCHEMBL10068627

C=C1O[C@@H](COP(=O)(O)O)CN1c1ccc(-c2ccc(N3CCN(C)C3=O)nc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.35
GPR119 Q8TDV5 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TYMS P04818 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
GRM2 Q14416 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
SCHEMBL412641 0.92 GRM5 (0.42) GRM5MAOAMAOBGRM2
SCHEMBL412062 0.82 MAOA (0.50) MAOAMAOB
SCHEMBL411601 0.81 MAOA (0.40) GRM5MAOAMAOB
SCHEMBL411056 0.78 CALML3 (0.47) GRM5MAOAMAOBGRM2
SCHEMBL411600 0.78 F10 (0.44) GRM5MAOAMAOBGRM2
SCHEMBL412061 0.77 F10 (0.45) GRM5MAOAMAOBGRM2
SCHEMBL411159 0.77 TDO2 (0.39) GRM5MAOAMAOBGRM2
SCHEMBL469913 0.76 CALML3 (0.44) MAOAMAOB
SCHEMBL411602 0.75 F10 (0.38) GRM5MAOAMAOBGRM2
SCHEMBL10068630 0.75 TDO2 (0.42) MAOAMAOB

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-2012033952-A1 3 - PHENYL- 2 -OXO- 1, 3 -OXAZOLIDINES FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 WO disclosed