SCHEMBL11330871

SCHEMBL11330871

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ CDYL2 Q8N8U2 2/20 0.39
▸ GRPR P30550 2/20 0.38
▸ BCL2L1 Q07817 1/20 0.37
▸ GRN P28799 1/20 0.37
▸ SORT1 Q99523 1/20 0.37
▸ CTSB P07858 1/20 0.36
▸ CBX7 O95931 1/20 0.36
▸ CBX8 Q9HC52 1/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ MME P08473 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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 0.90 OPRD1 (0.42) OPRM1OPRD1OPRK1GRPRGRN
SCHEMBL17925467 0.90 OPRM1 (0.46) OPRM1OPRD1OPRK1CDYL2GRPR
SCHEMBL1275443 0.90 OPRM1 (0.46) OPRM1OPRD1OPRK1CDYL2GRPR
SCHEMBL1674833 0.90 OPRM1 (0.46) OPRM1OPRD1OPRK1CDYL2GRPR
SCHEMBL11330795 0.90 OPRM1 (0.42) OPRM1OPRD1OPRK1CDYL2GRPR
Water SCHEMBL1433025 0.89 OPRM1 (0.46) OPRM1OPRD1OPRK1CDYL2GRPR
Water SCHEMBL1433018 0.89 OPRM1 (0.46) OPRM1OPRD1OPRK1CDYL2GRPR
Hydrochloric Acid SCHEMBL30196080 0.89 OPRM1 (0.46) OPRM1OPRD1OPRK1CDYL2GRPR
Water SCHEMBL28629638 0.89 OPRM1 (0.46) OPRM1OPRD1OPRK1CDYL2GRPR
SCHEMBL9522034 0.83 FOLH1 (0.44) OPRM1OPRD1OPRK1CDYL2GRPR

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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