SCHEMBL30064832

SCHEMBL30064832

CC(C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.49
▸ OPRD1 P41143 5/20 0.48
▸ CCKAR P32238 4/20 0.48
▸ CCKBR P32239 4/20 0.48
▸ IL23R Q5VWK5 7/20 0.48
▸ TFPI P10646 1/20 0.48

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
SCHEMBL29750403 0.86 OPRD1 (0.57) OPRD1CCKARCCKBR
Ascaphin-8 SCHEMBL29875628 0.86 TFPI (0.58) OPRD1TFPI
SCHEMBL27379012 0.85 TFPI (0.49) F2TFPI
SCHEMBL38658103 0.85 BACE1 (0.50) TFPI
SCHEMBL31385126 0.84 TFPI (0.63) OPRD1TFPI
SCHEMBL29701318 0.83 OPRD1 (0.57) OPRD1CCKARCCKBR
SCHEMBL30880906 0.83 TFPI (0.58) IL23RTFPI
SCHEMBL29464031 0.82 CTSB (0.48) F2OPRD1
SCHEMBL30138974 0.82 CALCRL (0.55) F2
SCHEMBL29574640 0.82 SLC15A2 (0.57) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230001010-A1 COMPOSITIONS AND METHODS FOR TREATING AUTOIMMUNE DISORDERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-01-05 — — US disclosed
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