SCHEMBL21613633

SCHEMBL21613633

CC(I)CN1CC[C@H](F)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
PIK3CD O00329 1/20 0.31

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
SCHEMBL23103243 0.83 PIK3CD (0.47) DPP4DPP8DPP9PIK3CD
SCHEMBL12041121 0.83 PIK3CD (0.47) DPP4DPP8DPP9PIK3CD
SCHEMBL23103231 0.83 PIK3CD (0.47) DPP4DPP8DPP9PIK3CD
SCHEMBL14738746 0.79 DPP4 (0.40) DPP4DPP8DPP9PIK3CD
SCHEMBL14738064 0.79 DPP4 (0.40) DPP4DPP8DPP9PIK3CD
SCHEMBL31483950 0.79 SLC6A3 (0.37) DPP4DPP8DPP9
SCHEMBL24616000 0.79 SLC6A3 (0.37) DPP4DPP8DPP9
SCHEMBL24616051 0.79 SLC6A3 (0.37) DPP4DPP8DPP9
SCHEMBL31484012 0.79 SLC6A3 (0.37) DPP4DPP8DPP9
SCHEMBL31315955 0.79 DPP4 (0.33) DPP4DPP8DPP9PIK3CD

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-3319963-B1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-01-08 EP disclosed