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SCHEMBL10598680

SCHEMBL10598680

CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)NC(=O)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 9/20 0.61
▸ CTSD P07339 1/20 0.57
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ OPRK1 P41145 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
SCHEMBL10599812 0.94 REN (0.60) RENCTSDOPRM1OPRD1OPRK1
SCHEMBL10601418 0.94 REN (0.61) RENCTSDOPRM1OPRD1OPRK1
SCHEMBL10597941 0.92 REN (0.61) RENCTSDOPRM1OPRD1OPRK1
SCHEMBL10601098 0.91 REN (0.57) RENCTSDOPRM1OPRD1OPRK1
SCHEMBL10777493 0.88 REN (0.77) RENCTSD
SCHEMBL10602239 0.87 REN (0.63) RENCTSD
SCHEMBL11025160 0.87 REN (0.66) RENCTSD
SCHEMBL10598636 0.85 REN (0.53) REN
SCHEMBL29525618 0.85 REN (0.58) RENOPRM1OPRD1OPRK1
SCHEMBL6516908 0.85 REN (0.58) RENOPRM1OPRD1OPRK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0081783-B2 RENIN INHIBITORY PEPTIDES HAVING PHE 13 DELETION MERCK & CO. INC. (US) 1989-02-08 — — EP claimed
EP-0081783-B1 RENIN INHIBITORY PEPTIDES HAVING PHE 13 DELETION MERCK & CO. INC. (US) 1985-06-19 — — EP claimed
EP-0081783-A1 Renin inhibitory peptides having Phe 13 deletion MERCK & CO. INC. (US) 1983-06-22 — — EP claimed
EP-0081783-B1 RENIN INHIBITORY PEPTIDES HAVING PHE 13 DELETION MERCK & CO. INC. (US) 1985-06-19 — — EP disclosed
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