SCHEMBL29392890

SCHEMBL29392890

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)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.56
▸ RAMP1 O60894 1/20 0.55
▸ OPRM1 P35372 4/20 0.54
▸ OPRD1 P41143 4/20 0.54
▸ KEAP1 Q14145 2/20 0.51
▸ EPHA2 P29317 2/20 0.49
▸ F2 P00734 1/20 0.46

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
SCHEMBL30186556 0.93 CALCRL (0.55) CALCRLRAMP1OPRM1OPRD1KEAP1
SCHEMBL29392795 0.91 CALCRL (0.55) CALCRLRAMP1OPRM1OPRD1KEAP1
SCHEMBL29392324 0.91 KEAP1 (0.51) CALCRLRAMP1OPRM1OPRD1KEAP1
SCHEMBL29392282 0.91 CALCRL (0.58) CALCRLRAMP1OPRM1OPRD1
SCHEMBL29392539 0.90 CALCRL (0.56) CALCRLRAMP1OPRM1OPRD1KEAP1
SCHEMBL29392543 0.88 CALCRL (0.54) CALCRLRAMP1OPRM1OPRD1
SCHEMBL29392901 0.88 EPHA2 (0.57) CALCRLRAMP1KEAP1EPHA2
SCHEMBL30186419 0.87 CALCRL (0.58) CALCRLRAMP1OPRM1OPRD1KEAP1
SCHEMBL30186430 0.87 CALCRL (0.61) CALCRLRAMP1OPRM1OPRD1
SCHEMBL31015010 0.84 OPRM1 (0.59) CALCRLRAMP1OPRM1OPRD1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3952991-A1 RUSALATIDE ACETATE COMPOSITIONS Affirmed Pharma, LLC (US) 2022-02-16 — — EP claimed
WO-2024211447-A1 TP508 MRNAS CHRYSALIS BIOTHERAPEUTICS (US) 2024-10-10 — — WO disclosed
EP-4132948-A1 TP508 ACUTE THERAPY FOR PATIENTS WITH RESPIRATORY VIRUS INFECTION Chrysalis Biotherapeutics (US) 2023-02-15 — — EP disclosed
EP-3952991-A1 RUSALATIDE ACETATE COMPOSITIONS Affirmed Pharma, LLC (US) 2022-02-16 — — EP disclosed
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