SCHEMBL31575689

SCHEMBL31575689

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 10/20 0.49
▸ CALCR P30988 10/20 0.49
▸ CALCRL Q16602 3/20 0.49
▸ KEAP1 Q14145 1/20 0.48
▸ RAMP1 O60894 1/20 0.48
▸ EP300 Q09472 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ NPY2R P49146 4/20 0.47
▸ NPY4R P50391 4/20 0.47
▸ NPY5R Q15761 4/20 0.47
▸ NPY1R P25929 3/20 0.47

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
SCHEMBL31575682 0.88 KDM1A (0.57) RAMP3CALCRKEAP1NPY2RNPY4R
SCHEMBL30914571 0.87 RAMP3 (0.50) RAMP3CALCRKEAP1EP300HIF1A
SCHEMBL29403493 0.87 RAMP3 (0.57) RAMP3CALCREP300HIF1ANPY2R
SCHEMBL30991505 0.86 KDM1A (0.50) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31489174 0.86 NMUR2 (0.46) RAMP3CALCR
SCHEMBL5062681 0.86 CALCRL (0.53) RAMP3CALCRCALCRLKEAP1RAMP1
SCHEMBL30536336 0.86 RAMP3 (0.61) RAMP3CALCREP300HIF1ANPY2R
SCHEMBL31461864 0.85 NPY2R (0.55) RAMP3CALCREP300HIF1ANPY2R
SCHEMBL31462130 0.85 NPY2R (0.55) RAMP3CALCREP300HIF1ANPY2R
SCHEMBL30258156 0.85 KEAP1 (0.47) RAMP3CALCRCALCRLKEAP1RAMP1

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
CN-120019812-A Artificial toad venom composition and application thereof 南京中医药大学 2025-05-20 — — CN claimed
CN-120019812-A Artificial toad venom composition and application thereof 南京中医药大学 2025-05-20 — — CN disclosed
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