SCHEMBL10657698

SCHEMBL10657698

CCC(C)[C@H](NC(=O)N(CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.55
▸ PSEN1 P49768 2/20 0.48
▸ PSEN2 P49810 2/20 0.48
▸ APH1B Q8WW43 2/20 0.48
▸ NCSTN Q92542 2/20 0.48
▸ APH1A Q96BI3 2/20 0.48
▸ PSENEN Q9NZ42 2/20 0.48

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
SCHEMBL10657708 1.00 REN (0.55) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10662212 0.96 REN (0.60) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10659887 0.96 REN (0.60) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10656796 0.88 REN (0.57) REN
SCHEMBL10656802 0.88 REN (0.57) REN
SCHEMBL10657717 0.88 REN (0.72) REN
SCHEMBL10659915 0.86 PSEN1 (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10664115 0.85 REN (0.62) REN
SCHEMBL10664132 0.85 REN (0.62) REN
SCHEMBL10659894 0.84 REN (0.78) REN

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
US-4757050-A Urea, amide group-containing E. R. SQUIBB SONS, INC. (US) 1988-07-12 — — US claimed
US-4757050-A Urea, amide group-containing E. R. SQUIBB SONS, INC. (US) 1988-07-12 — — US disclosed
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