SCHEMBL28054810

SCHEMBL28054810

O=CNC1CC(O)CN1C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 5/20 0.55
▸ CTSK P43235 1/20 0.39
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNB4 P30926 2/20 0.38
▸ CHRNA3 P32297 2/20 0.38
▸ CHRNA7 P36544 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ VHL P40337 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RIPK1 Q13546 1/20 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
SCHEMBL28054871 0.78 PIK3CD (0.39) PIK3CDCTSKCHRNB2CHRNB4CHRNA3
SCHEMBL2459843 0.74 PIK3CD (0.61) PIK3CDCTSKCHRNB2CHRNB4CHRNA3
SCHEMBL9028110 0.74 PIK3CD (0.61) PIK3CDCTSKCHRNB2CHRNB4CHRNA3
SCHEMBL19711139 0.74 PIK3CD (0.66) PIK3CDCTSKCHRNB2CHRNB4CHRNA3
SCHEMBL10469223 0.74 PIK3CD (0.61) PIK3CDCTSKCHRNB2CHRNB4CHRNA3
SCHEMBL9028119 0.74 PIK3CD (0.61) PIK3CDCTSKCHRNB2CHRNB4CHRNA3
SCHEMBL17478603 0.73 PIK3CD (0.60) PIK3CDCTSKCHRNB2CHRNB4CHRNA3
SCHEMBL17478617 0.73 PIK3CD (0.60) PIK3CDCTSKCHRNB2CHRNB4CHRNA3
SCHEMBL17478614 0.73 PIK3CD (0.60) PIK3CDCTSKCHRNB2CHRNB4CHRNA3
SCHEMBL13804368 0.72 PIK3CD (0.62) PIK3CDCTSKCHRNB2CHRNB4CHRNA3

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
CN-102791693-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2016-04-13 — — CN claimed
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