SCHEMBL30186556

SCHEMBL30186556

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](CCC(=O)O)NC(=O)[C@@H](N)CS)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.55
▸ OPRM1 P35372 4/20 0.54
▸ OPRD1 P41143 4/20 0.54
▸ RAMP1 O60894 1/20 0.54
▸ KEAP1 Q14145 3/20 0.52
▸ NMUR2 Q9GZQ4 1/20 0.48
▸ NMUR1 Q9HB89 1/20 0.48
▸ F2 P00734 3/20 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
SCHEMBL29392324 0.95 KEAP1 (0.51) CALCRLOPRM1OPRD1RAMP1KEAP1
SCHEMBL29392539 0.94 CALCRL (0.56) CALCRLOPRM1OPRD1RAMP1KEAP1
SCHEMBL29392890 0.93 CALCRL (0.56) CALCRLOPRM1OPRD1RAMP1KEAP1
SCHEMBL29392282 0.90 CALCRL (0.58) CALCRLOPRM1OPRD1RAMP1
SCHEMBL29392795 0.89 CALCRL (0.55) CALCRLOPRM1OPRD1RAMP1KEAP1
SCHEMBL29392901 0.88 EPHA2 (0.57) CALCRLRAMP1KEAP1NMUR2NMUR1
SCHEMBL30443604 0.86 NMUR2 (0.55) CALCRLOPRM1OPRD1RAMP1KEAP1
SCHEMBL30186430 0.85 CALCRL (0.61) CALCRLOPRM1OPRD1RAMP1
SCHEMBL6887928 0.85 OPRD1 (0.55) OPRM1OPRD1
SCHEMBL6887945 0.85 OPRD1 (0.55) OPRM1OPRD1

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-20230165943-A1 TP508 ACUTE THERAPY FOR PATIENTS WITH RESPIRATORY VIRUS INFECTION CHRYSALIS BIOTHERAPEUTICS, INC. 2023-06-01 — — US disclosed
EP-4132948-A1 TP508 ACUTE THERAPY FOR PATIENTS WITH RESPIRATORY VIRUS INFECTION Chrysalis Biotherapeutics (US) 2023-02-15 — — EP disclosed
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