SCHEMBL11330795

SCHEMBL11330795

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c1ccc(N)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ GRPR P30550 2/20 0.40
▸ CA2 P00918 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ GRN P28799 1/20 0.38
▸ SORT1 Q99523 1/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ SLC22A6 Q4U2R8 1/20 0.37
▸ SLC22A8 Q8TCC7 1/20 0.37
▸ CDYL2 Q8N8U2 1/20 0.37
▸ MME P08473 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
SCHEMBL316943 0.92 OPRD1 (0.42) OPRM1OPRD1OPRK1GRPRGRN
SCHEMBL17925467 0.92 OPRM1 (0.46) OPRM1OPRD1OPRK1GRPRCTSB
SCHEMBL1275443 0.92 OPRM1 (0.46) OPRM1OPRD1OPRK1GRPRCTSB
SCHEMBL1674833 0.92 OPRM1 (0.46) OPRM1OPRD1OPRK1GRPRCTSB
Water SCHEMBL1433025 0.91 OPRM1 (0.46) OPRM1OPRD1OPRK1GRPRCTSB
Water SCHEMBL1433018 0.91 OPRM1 (0.46) OPRM1OPRD1OPRK1GRPRCTSB
Water SCHEMBL28629638 0.91 OPRM1 (0.46) OPRM1OPRD1OPRK1GRPRCTSB
Hydrochloric Acid SCHEMBL30196080 0.91 OPRM1 (0.46) OPRM1OPRD1OPRK1GRPRCTSB
SCHEMBL11330871 0.90 OPRM1 (0.40) OPRM1OPRD1OPRK1GRPRCA2
Hippuric Acid SCHEMBL1838491 0.87 OPRD1 (0.49) OPRM1OPRD1OPRK1GRPRCTSB

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
US-4292404-A Method for determining the activity of the angiotensin-converting enzyme FUJIZOKI PHARMACEUTICAL CO., LTD. (JP) 1981-09-29 — — US claimed
US-4292404-A Method for determining the activity of the angiotensin-converting enzyme FUJIZOKI PHARMACEUTICAL CO., LTD. (JP) 1981-09-29 — — US disclosed
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