SCHEMBL11011996

SCHEMBL11011996

CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.57
▸ CTSB P07858 6/20 0.52
▸ CTSK P43235 6/20 0.52
▸ PTPN1 P18031 1/20 0.49
▸ PSMB1 P20618 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ PSMB2 P49721 1/20 0.46

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
SCHEMBL11007909 0.90 REN (0.56) REN
SCHEMBL11014015 0.89 REN (0.47) REN
SCHEMBL11015609 0.85 REN (0.56) REN
SCHEMBL11013919 0.85 REN (0.66) RENCTSBCTSK
SCHEMBL11010625 0.85 REN (0.66) RENCTSBCTSK
SCHEMBL9716847 0.84 REN (0.66) RENCTSBCTSK
SCHEMBL11014099 0.83 REN (0.58) REN
SCHEMBL11012331 0.82 REN (0.51) RENCTSBCTSKPTPN1PSMB1
SCHEMBL10909548 0.81 CTSB (0.53) RENCTSBCTSK
SCHEMBL10636524 0.81 CTSK (0.54) RENCTSBCTSKPTPN1PSMB1

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-0144290-A2 Substituted ethylenediamine derivatives CIBA-GEIGY AG (CH) 1985-06-12 — — EP claimed
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