SCHEMBL30186419

SCHEMBL30186419

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.58
▸ RAMP1 O60894 1/20 0.53
▸ KEAP1 Q14145 1/20 0.52
▸ EPHA2 P29317 2/20 0.50
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 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
SCHEMBL29392795 0.95 CALCRL (0.55) CALCRLRAMP1KEAP1EPHA2OPRM1
SCHEMBL30186430 0.92 CALCRL (0.61) CALCRLRAMP1OPRM1OPRD1
SCHEMBL29392132 0.88 CALCRL (0.55) CALCRLRAMP1OPRM1OPRD1
SCHEMBL29392282 0.87 CALCRL (0.58) CALCRLRAMP1OPRM1OPRD1
SCHEMBL29392890 0.87 CALCRL (0.56) CALCRLRAMP1KEAP1EPHA2OPRM1
SCHEMBL30186556 0.84 CALCRL (0.55) CALCRLRAMP1KEAP1OPRM1OPRD1
SCHEMBL29392324 0.84 KEAP1 (0.51) CALCRLRAMP1KEAP1EPHA2OPRM1
SCHEMBL29391626 0.82 CALCRL (0.53) CALCRLRAMP1OPRM1OPRD1
SCHEMBL29680138 0.82 CALCRL (0.58) CALCRLRAMP1OPRM1OPRD1
SCHEMBL29392543 0.81 CALCRL (0.54) CALCRLRAMP1OPRM1OPRD1

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
EP-4132948-A1 TP508 ACUTE THERAPY FOR PATIENTS WITH RESPIRATORY VIRUS INFECTION Chrysalis Biotherapeutics (US) 2023-02-15 — — EP disclosed
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