SCHEMBL31455403

SCHEMBL31455403

CN(Cc1ccc(N)c(F)c1)[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 8/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
DPP4 P27487 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CXCR3 P49682 1/20 0.34
GRIN2B Q13224 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL31454995 1.00 TAS2R14 (0.39) TAS2R14HRH4HRH3DPP4DPP9
SCHEMBL31455549 0.87 ALDH1A1 (0.36) HRH4HRH3DPP4DPP9DPP7
SCHEMBL31455336 0.87 ALDH1A1 (0.36) HRH4HRH3DPP4DPP9DPP7
SCHEMBL31455649 0.86 HRH4 (0.38) TAS2R14HRH4HRH3MEN1KMT2A
SCHEMBL29173109 0.79 TAS2R14 (0.38) TAS2R14HRH4HRH3MEN1KMT2A
SCHEMBL29173102 0.77 MEN1 (0.51) TAS2R14HRH4HRH3MEN1KMT2A
SCHEMBL31455034 0.73 ALDH1A1 (0.39) HRH4HRH3MEN1KMT2A
SCHEMBL31455570 0.73 DPP4 (0.37) DPP4DPP9DPP7MEN1KMT2A
SCHEMBL31455326 0.73 DPP4 (0.37) DPP4DPP9DPP7MEN1KMT2A
SCHEMBL11888875 0.73 ALDH1A1 (0.54) HRH3DPP4

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
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed