SCHEMBL30901434

SCHEMBL30901434

C[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.53
▸ CTSB P07858 2/20 0.53
▸ C5AR1 P21730 2/20 0.51
▸ CXCR4 P61073 3/20 0.51
▸ DPP3 Q9NY33 5/20 0.50
▸ SLC6A2 P23975 1/20 0.49
▸ CCKBR P32239 2/20 0.48
▸ GLP1R P43220 2/20 0.48
▸ KISS1R Q969F8 4/20 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
SCHEMBL30440074 0.91 CXCR4 (0.56) CAPN1CTSBC5AR1CXCR4CCKBR
SCHEMBL31328328 0.88 CAPN1 (0.57) CAPN1CTSBC5AR1CXCR4DPP3
SCHEMBL30254014 0.88 CAPN1 (0.57) CAPN1CTSBC5AR1CXCR4DPP3
SCHEMBL30254337 0.87 DPP3 (0.55) CAPN1CTSBC5AR1CXCR4DPP3
SCHEMBL30873115 0.87 CAPN1 (0.56) CAPN1CTSBC5AR1CXCR4DPP3
SCHEMBL30199081 0.87 CAPN1 (0.54) CAPN1CTSBCXCR4DPP3SLC6A2
SCHEMBL29845379 0.87 C5AR1 (0.56) CAPN1CTSBC5AR1DPP3KISS1R
SCHEMBL38662212 0.85 CCKBR (0.54) C5AR1CXCR4CCKBRGLP1R
SCHEMBL30254065 0.85 CAPN1 (0.59) CAPN1CTSBC5AR1DPP3
SCHEMBL30033999 0.84 KISS1R (0.57) C5AR1DPP3KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820428-A Scorpion venom polypeptide targeting T-type calcium ion channel and application thereof 江苏大学 2024-04-05 — — CN claimed
CN-117820428-A Scorpion venom polypeptide targeting T-type calcium ion channel and application thereof 江苏大学 2024-04-05 — — CN disclosed
CN-117820428-A Scorpion venom polypeptide targeting T-type calcium ion channel and application thereof 江苏大学 2024-04-05 — — CN disclosed
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