SCHEMBL31455336

SCHEMBL31455336

COC(=O)[C@H]1CC[C@@H](N(C)Cc2ccc(N)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
DPP4 P27487 2/20 0.35
DPP9 Q86TI2 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
GNRHR P30968 1/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ITK Q08881 1/20 0.34
HSD11B1 P28845 2/20 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
SCHEMBL31455549 1.00 ALDH1A1 (0.36) ALDH1A1HTTSMN1; SMN2HRH4HRH3
SCHEMBL31455034 0.87 ALDH1A1 (0.39) ALDH1A1HTTSMN1; SMN2HRH4HRH3
SCHEMBL31455403 0.87 TAS2R14 (0.39) HRH4HRH3DPP4DPP9DPP7
SCHEMBL31454995 0.87 TAS2R14 (0.39) HRH4HRH3DPP4DPP9DPP7
SCHEMBL31455326 0.86 DPP4 (0.37) ALDH1A1HTTSMN1; SMN2DPP4DPP9
SCHEMBL31455570 0.86 DPP4 (0.37) ALDH1A1HTTSMN1; SMN2DPP4DPP9
SCHEMBL31455344 0.82 MAPT (0.43) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL31455401 0.82 MAPT (0.43) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL28972001 0.79 MEN1 (0.42) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL8949097 0.77 ALDH1A1 (0.50) ALDH1A1MAPTHPGDHSD17B10NPC1

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