SCHEMBL26614716

SCHEMBL26614716

COCC(=O)OC(=O)N1CCNC(C)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 3/20 0.40
HRH4 Q9H3N8 1/20 0.36
REN P00797 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
SCN9A Q15858 4/20 0.31
SCN10A Q9Y5Y9 2/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
ACVR1 Q04771 1/20 0.31
XIAP P98170 1/20 0.30

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
SCHEMBL1992768 0.81 BIRC2 (0.47) BIRC2HRH4RENFGFR2FGFR3
SCHEMBL1992770 0.81 BIRC2 (0.47) BIRC2HRH4RENFGFR2FGFR3
SCHEMBL17560333 0.81 BIRC2 (0.39) BIRC2HRH4RENCHRNB2CHRNA3
SCHEMBL4332763 0.79 CHRNB2 (0.47) BIRC2HRH4RENCHRNB2CHRNA3
SCHEMBL15360066 0.79 CHRNB2 (0.47) BIRC2HRH4RENCHRNB2CHRNA3
SCHEMBL15360065 0.79 CHRNB2 (0.47) BIRC2HRH4RENCHRNB2CHRNA3
Hydrochloric Acid SCHEMBL17560335 0.77 CHRNB2 (0.46) BIRC2HRH4RENCHRNB2CHRNA3
SCHEMBL17560445 0.76 CHRNB2 (0.42) BIRC2HRH4RENCHRNB2CHRNA3
SCHEMBL317572 0.76 BIRC2 (0.45) BIRC2HRH4
SCHEMBL956554 0.76 BIRC2 (0.45) BIRC2HRH4

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-2023208092-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2023-11-02 WO disclosed