SCHEMBL7466925

SCHEMBL7466925

O=C1O[C@@H](COc2ccon2)CN1c1cc(F)c(C2=CC(Cc3ccccc3)NCC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.39
MAOA P21397 1/20 0.34

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
SCHEMBL7837740 0.84 CALML3 (0.35) GRM2MAOA
SCHEMBL7470390 0.83 CALML3 (0.48) GRM2MAOA
SCHEMBL7140238 0.83 GRM2 (0.41) GRM2
SCHEMBL7845157 0.83 GRM2 (0.41) GRM2MAOA
SCHEMBL5229382 0.81 GRM2 (0.37) GRM2MAOA
SCHEMBL12674052 0.81 GRM2 (0.37) GRM2MAOA
Hydrochloric Acid SCHEMBL7081703 0.80 GRM2 (0.37) GRM2MAOA
Hydrochloric Acid SCHEMBL7081708 0.80 GRM2 (0.37) GRM2MAOA
SCHEMBL7459673 0.80 MAOA (0.35) GRM2MAOA
SCHEMBL5233795 0.79 GRM2 (0.40) GRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237895-A2 PHOSPHORYLATION OF TERMINAL PRIMARY ALCOHOL GROUPS AstraZeneca AB (SE) 2002-09-11 EP disclosed
WO-2001040236-A2 PHOSPHORYLATION OF TERMINAL PRIMARY ALCOHOL GROUPS ASTRAZENECA AB (SE) 2001-06-07 WO disclosed