SCHEMBL1077611

SCHEMBL1077611

O=C1O[C@H](CCO)CN1c1cccc(F)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 16/20 0.70
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
FADS1 O60427 1/20 0.57
CALML3 P27482 2/20 0.49

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
SCHEMBL30063909 0.89 MAOA (0.71) GRM2MAOAMAOBFADS1CALML3
SCHEMBL3087781 0.89 MAOA (0.71) GRM2MAOAMAOBFADS1CALML3
SCHEMBL1557298 0.89 MAOA (0.71) GRM2MAOAMAOBFADS1CALML3
SCHEMBL1032517 0.89 MAOA (0.71) GRM2MAOAMAOBFADS1CALML3
SCHEMBL14214167 0.87 GRM2 (0.82) GRM2MAOAMAOBFADS1
SCHEMBL14573697 0.87 GRM2 (0.82) GRM2MAOAMAOBFADS1
SCHEMBL6644912 0.85 GRM2 (0.65) GRM2MAOAMAOBFADS1CALML3
SCHEMBL27576680 0.84 GRM2 (0.70) GRM2MAOAMAOBFADS1
SCHEMBL6233611 0.84 GRM2 (0.66) GRM2MAOAMAOBFADS1CALML3
SCHEMBL2896939 0.84 GRM2 (0.66) GRM2MAOAMAOBFADS1CALML3

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
EP-1904489-B1 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB X PHARMACEUTICALS INC (US) 2011-01-26 EP disclosed