SCHEMBL11015609

SCHEMBL11015609

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

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.56
▸ PGA5 P0DJD9 1/20 0.47
▸ CTSD P07339 1/20 0.47

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 0.86 REN (0.56) RENCTSD
SCHEMBL11014099 0.86 REN (0.58) RENCTSD
SCHEMBL11011996 0.85 REN (0.57) REN
SCHEMBL11014015 0.85 REN (0.47) RENCTSD
SCHEMBL29612424 0.84 REN (0.59) RENPGA5CTSD
SCHEMBL11033295 0.84 REN (0.56) REN
SCHEMBL9716892 0.83 REN (0.65) REN
SCHEMBL9551311 0.82 REN (0.64) REN
SCHEMBL10722951 0.80 REN (0.53) RENPGA5CTSD
SCHEMBL10869206 0.80 REN (0.59) 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 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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