SCHEMBL28547274

SCHEMBL28547274

CC(C)(C[C@H]1CCCNC1)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.44
CPB2 Q96IY4 2/20 0.44
KMT2A Q03164 2/20 0.41
SLC6A1 P30531 4/20 0.41
SLC6A11 P48066 3/20 0.41
SLC6A13 Q9NSD5 3/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.40
GABRA5 P31644 2/20 0.40
GABRB2 P47870 2/20 0.40
SLC6A12 P48065 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRR1 P24046 1/20 0.40
GABRA4 P48169 1/20 0.40
CHRM3 P20309 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36

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
SCHEMBL28482355 1.00 CPN1 (0.44) CPN1CPB2KMT2ASLC6A1SLC6A11
SCHEMBL28469067 0.90 SLC6A1 (0.50) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL28187856 0.90 SLC6A1 (0.50) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL7550865 0.81 GABRA5 (0.39) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL28812136 0.79 SSTR4 (0.38) SSTR4
Hydrochloric Acid SCHEMBL28794028 0.77 SLC6A1 (0.47) KMT2ASLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL14646583 0.77 HRH3 (0.40) CPN1CPB2KMT2ASLC6A1SLC6A11
SCHEMBL14071147 0.77 HRH3 (0.40) CPN1CPB2KMT2ASLC6A1SLC6A11
SCHEMBL9917291 0.77 HRH3 (0.40) CPN1CPB2KMT2ASLC6A1SLC6A11
SCHEMBL28425682 0.76 SSTR4 (0.33) SSTR4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114845711-A Inhibitors of RAF kinase 金耐特生物制药公司 2022-08-02 CN disclosed
CN-114787148-A Functionalized heterocyclic compounds as modulators of interferon gene Stimulators (STING) 雷沃医疗有限公司 2022-07-22 CN disclosed
CN-114787147-A Heterocyclic compounds as modulators of interferon gene Stimulators (STING) 雷沃医疗有限公司 2022-07-22 CN disclosed
CN-112585134-A Pyridyl heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-03-30 CN disclosed