Sugi Predict

Sugi Predict / Compounds / SCHEMBL38660049

SCHEMBL38660049

SCHEMBL38660049

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 9/20 0.62
▸ CXCR4 P61073 1/20 0.60
▸ RAMP3 O60896 5/20 0.58
▸ NPY2R P49146 7/20 0.58
▸ NPY4R P50391 7/20 0.58
▸ NPY5R Q15761 7/20 0.58
▸ NPY1R P25929 5/20 0.58
▸ C5AR1 P21730 1/20 0.57

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
SCHEMBL38660800 0.96 CALCR (0.60) CALCRCXCR4RAMP3NPY2RNPY4R
SCHEMBL30262212 0.92 CALCR (0.64) CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL31182931 0.91 CALCR (0.65) CALCRCXCR4NPY2RNPY4RNPY5R
SCHEMBL30884597 0.91 C5AR1 (0.60) CALCRCXCR4RAMP3C5AR1
SCHEMBL30763295 0.91 CALCR (0.73) CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL29771673 0.91 NPY2R (0.65) CALCRCXCR4RAMP3NPY2RNPY4R
SCHEMBL31118810 0.91 RAMP3 (0.61) CALCRCXCR4RAMP3NPY2RNPY4R
SCHEMBL30883208 0.90 CALCR (0.68) CALCRCXCR4NPY2RNPY4RNPY5R
SCHEMBL30763301 0.90 CALCR (0.70) CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL31182565 0.90 CXCR4 (0.63) CALCRCXCR4RAMP3NPY2RNPY4R

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
WO-2026099453-A1 AF-16 OR AF-17 FOR ACUTE TREATMENT OF BRAIN OEDEMA IN PATIENTS WITH TRAUMATIC BRAIN INJURY LANTMÄNNEN MEDICAL AB (SE) 2026-05-15 — — WO disclosed
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