SCHEMBL29398438

SCHEMBL29398438

F[C@@H]1C(c2cnc3c(NC4CCCC4)nc(Cl)nn23)O[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.46
▸ ADORA1 P30542 3/20 0.36
▸ BCHE P06276 1/20 0.35
▸ ADORA3 P0DMS8 5/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ NT5E P21589 6/20 0.34
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL22569903 0.93 PDE2A (0.41) PDE2AADORA1BCHEADORA3HTR1A
SCHEMBL22579639 0.93 PDE2A (0.41) PDE2AADORA1BCHEADORA3HTR1A
SCHEMBL24557986 0.83 PDE2A (0.59) PDE2ABCHEHTR1ANT5E
SCHEMBL24557950 0.83 HTR1A (0.37) PDE2ABCHEHTR1ANT5E
SCHEMBL29397151 0.82 PDE2A (0.45) PDE2ABCHEHTR1A
SCHEMBL22579737 0.82 PDE2A (0.45) PDE2ABCHEHTR1A
SCHEMBL22569914 0.81 PDE2A (0.37) PDE2AADORA1BCHEADORA3NT5E
SCHEMBL22579642 0.81 HTR1A (0.36) PDE2ABCHEHTR1ANT5E
SCHEMBL28406218 0.81 BCHE (0.38) PDE2AADORA1BCHEADORA3HTR1A
SCHEMBL22569901 0.80 PDE2A (0.35) PDE2AADORA1BCHEADORA3NT5E

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-3956341-A1 CD73 INHIBITORS Bioardis LLC (US) 2022-02-23 — — EP disclosed
Send feedback