Sugi Predict

Sugi Predict / Compounds / SCHEMBL7277958

SCHEMBL7277958

SCHEMBL7277958

CC(C)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)N1CCCCCC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.51
▸ PSEN1 P49768 1/20 0.45
▸ PSEN2 P49810 1/20 0.45
▸ APH1B Q8WW43 1/20 0.45
▸ NCSTN Q92542 1/20 0.45
▸ APH1A Q96BI3 1/20 0.45
▸ PSENEN Q9NZ42 1/20 0.45

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
SCHEMBL7273807 1.00 REN (0.51) RENPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL7287287 0.99 REN (0.51) RENPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL7282482 0.99 REN (0.51) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7280937 0.95 REN (0.49) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7279076 0.95 REN (0.55) REN
SCHEMBL7279721 0.95 REN (0.55) REN
Hydrochloric Acid SCHEMBL7279928 0.95 REN (0.49) RENPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL7286326 0.94 REN (0.55) REN
SCHEMBL7271675 0.93 REN (0.51) RENPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL7274189 0.93 REN (0.51) RENPSEN1PSEN2APH1BNCSTN

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
EP-0476515-A1 New amino acid derivatives, a process for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-25 — — EP disclosed