SCHEMBL5888856

SCHEMBL5888856

CCCC[C@H](O)[C@@H](CC1CC1)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccccc3)c2)C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 15/20 0.67
▸ NPY1R P25929 1/20 0.53
▸ PSEN1 P49768 2/20 0.52
▸ PSEN2 P49810 2/20 0.52
▸ APH1B Q8WW43 2/20 0.52
▸ NCSTN Q92542 2/20 0.52
▸ APH1A Q96BI3 2/20 0.52
▸ PSENEN Q9NZ42 2/20 0.52
▸ MMP1 P03956 1/20 0.52
▸ MMP2 P08253 1/20 0.52
▸ MMP7 P09237 1/20 0.52
▸ MMP10 P09238 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ MMP14 P50281 1/20 0.52
▸ ADAM17 P78536 1/20 0.52
▸ TPSAB1 Q15661 2/20 0.43
▸ TPSD1 Q9BZJ3 2/20 0.43
▸ TPSG1 Q9NRR2 2/20 0.43
▸ MME P08473 1/20 0.42

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
SCHEMBL5888987 0.89 APP (0.68) APPNPY1RPSEN1PSEN2APH1B
SCHEMBL4193946 0.81 APP (0.49) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4193945 0.81 APP (0.49) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4484575 0.80 APP (0.67) APPNPY1RPSEN1PSEN2APH1B
SCHEMBL13875783 0.80 APP (0.48) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4478799 0.79 APP (0.67) APPNPY1RPSEN1PSEN2APH1B
SCHEMBL5086527 0.79 APP (0.64) APPNPY1RPSEN1PSEN2APH1B
SCHEMBL4492146 0.78 APP (0.66) APPNPY1RPSEN1PSEN2APH1B
SCHEMBL4499107 0.78 PSEN1 (0.61) APPNPY1RPSEN1PSEN2APH1B
SCHEMBL4487846 0.77 PSEN1 (0.62) APPPSEN1PSEN2APH1BNCSTN

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
US-7112583-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-09-26 — — US disclosed
Send feedback