SCHEMBL13170499

SCHEMBL13170499

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.55
▸ OPRD1 P41143 11/20 0.47
▸ CCKAR P32238 4/20 0.47
▸ CCKBR P32239 4/20 0.47
▸ OPRM1 P35372 5/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ IL23R Q5VWK5 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
SCHEMBL13170503 0.90 F2 (0.47) F2CCKARCCKBR
SCHEMBL30168717 0.88 F2 (0.55) F2IL23R
SCHEMBL29836469 0.86 F2 (0.56) F2IL23R
SCHEMBL30168754 0.85 IL23R (0.58) F2IL23R
SCHEMBL30168761 0.85 F2 (0.58) F2IL23R
SCHEMBL30713460 0.85 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL30974333 0.84 F2 (0.60) F2OPRD1OPRM1OPRK1
SCHEMBL30168728 0.83 TFPI (0.58) F2
SCHEMBL31410837 0.83 OPRD1 (0.51) OPRD1CCKBROPRM1OPRK1
SCHEMBL31472945 0.82 OPRD1 (0.52) OPRD1CCKARCCKBROPRM1IL23R

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-8569043-B2 Detection of post-translationally modified peptides with liquid crystals WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-10-29 — — US disclosed
US-7795007-B2 contacting sample with a peptide attachment surface to create a peptidized surface, contacting the peptidized surface with a recognition reagent that selectively binds or forms a complex with the post-translationally modified peptide to provide an incubated surface, contacting a liquid crystal WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-09-14 — — US disclosed
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