SCHEMBL11008491

SCHEMBL11008491

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.40
▸ REN P00797 1/20 0.38
▸ OPRD1 P41143 5/20 0.38
▸ OPRM1 P35372 4/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ CTSC P53634 1/20 0.38
▸ GHSR Q92847 1/20 0.37

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
SCHEMBL31259942 0.86 MME (0.47) GNPAT
SCHEMBL30692727 0.86 MME (0.47) GNPAT
SCHEMBL30578424 0.86 MME (0.47) GNPAT
SCHEMBL10557246 0.85 GNPAT (0.49) GNPATOPRD1OPRM1OPRK1CTSC
SCHEMBL29577210 0.84 MME (0.47) —
SCHEMBL9667576 0.83 CTSC (0.47) CTSC
SCHEMBL7277013 0.83 CTSC (0.47) CTSC
SCHEMBL3881794 0.83 CTSC (0.47) CTSC
SCHEMBL9666897 0.83 CTSC (0.47) CTSC
SCHEMBL9672005 0.83 CTSC (0.47) CTSC

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