SCHEMBL26169977

SCHEMBL26169977

CC(C)C[C@@H](NC(=O)[C@@H](C)CCCN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 10/20 0.44
▸ FURIN P09958 1/20 0.38
▸ PCSK6 P29122 1/20 0.38
▸ PSEN1 P49768 4/20 0.38
▸ PSEN2 P49810 4/20 0.38
▸ APH1B Q8WW43 4/20 0.38
▸ NCSTN Q92542 4/20 0.38
▸ APH1A Q96BI3 4/20 0.38
▸ PSENEN Q9NZ42 4/20 0.38
▸ CAPN1 P07384 2/20 0.36
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2A Q12879 2/20 0.35
▸ GRM1 Q13255 2/20 0.35

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
SCHEMBL26169926 0.94 CPB2 (0.44) CPB2FURINPCSK6PSEN1PSEN2
SCHEMBL26172465 0.94 CPB2 (0.47) CPB2PSEN1PSEN2APH1BNCSTN
SCHEMBL26174178 0.89 CPB2 (0.48) CPB2PSEN1PSEN2APH1BNCSTN
SCHEMBL26873245 0.85 CPB2 (0.46) CPB2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24916226 0.82 CPB2 (0.53) CPB2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26174195 0.82 CPB2 (0.43) CPB2PSEN1PSEN2APH1BNCSTN
SCHEMBL27322769 0.81 CHRNB2 (0.50) CPB2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26879069 0.80 CPB2 (0.47) CPB2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31415890 0.79 CPB2 (0.45) CPB2PSEN1PSEN2APH1BNCSTN
SCHEMBL31415886 0.79 CPB2 (0.45) CPB2PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225661-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-23 — — WO disclosed
WO-2023102507-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-08 — — WO disclosed
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