SCHEMBL11013790

SCHEMBL11013790

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.48
▸ PSEN1 P49768 3/20 0.45
▸ PSEN2 P49810 3/20 0.45
▸ APH1B Q8WW43 3/20 0.45
▸ NCSTN Q92542 3/20 0.45
▸ APH1A Q96BI3 3/20 0.45
▸ PSENEN Q9NZ42 3/20 0.45
▸ CTSD P07339 6/20 0.44
▸ F2 P00734 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
SCHEMBL7441309 0.81 ITGB3 (0.46) REN
SCHEMBL11013722 0.80 REN (0.58) REN
SCHEMBL9716892 0.79 REN (0.65) REN
SCHEMBL11012331 0.78 REN (0.51) RENF2
SCHEMBL30599003 0.78 CCNA2 (0.51) —
SCHEMBL9716847 0.77 REN (0.66) RENCTSD
SCHEMBL16508044 0.76 PSMB5 (0.49) RENCTSDF2
SCHEMBL31746151 0.75 F2 (0.47) RENCTSDF2
SCHEMBL24919552 0.75 NPY4R (0.57) —
SCHEMBL11018761 0.75 REN (0.67) RENCTSD

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-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 — — EP claimed
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