SCHEMBL29604147

SCHEMBL29604147

COC(=O)c1cc(-c2ccc(F)c(C)c2)cnc1OC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.47
GRIN2B Q13224 15/20 0.45
PIK3C3 Q8NEB9 3/20 0.43
GRIN1 Q05586 1/20 0.43
PIK3CG P48736 1/20 0.42

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
SCHEMBL22770838 1.00 CHRNA7 (0.47) CHRNA7GRIN2BPIK3C3GRIN1PIK3CG
SCHEMBL22770819 0.82 GRIN1 (0.47) GRIN2BGRIN1PIK3CG
SCHEMBL12427703 0.81 SLC6A4 (0.49) CHRNA7PIK3C3
SCHEMBL4876885 0.78 AXL (0.59) PIK3C3PIK3CG
SCHEMBL12427702 0.78 CFTR (0.48) GRIN2BPIK3C3GRIN1
SCHEMBL12427707 0.78 SLC6A3 (0.57) PIK3C3PIK3CG
SCHEMBL5778713 0.77 AXL (0.60) PIK3C3PIK3CG
SCHEMBL22770848 0.76 GRIN2B (0.46) GRIN2BGRIN1
SCHEMBL22770872 0.76 GRIN1 (0.42) CHRNA7GRIN2BGRIN1
SCHEMBL29603830 0.76 GRIN1 (0.42) CHRNA7GRIN2BGRIN1

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-3983074-A1 PYRIDINE CARBAMATES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 EP disclosed