SCHEMBL31475675

SCHEMBL31475675

C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.60
▸ CTSS P25774 3/20 0.60
▸ CTSK P43235 3/20 0.60
▸ CTSH P09668 1/20 0.60
▸ CCKBR P32239 1/20 0.52
▸ NMBR P28336 2/20 0.51
▸ GRPR P30550 2/20 0.51
▸ CXCL8 P10145 6/20 0.50
▸ C5AR1 P21730 2/20 0.50
▸ DPP3 Q9NY33 2/20 0.50
▸ KISS1R Q969F8 1/20 0.50
▸ CXCR4 P61073 1/20 0.49

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
SCHEMBL30460317 0.93 CTSL (0.59) CTSLCTSSCTSKCTSHCCKBR
SCHEMBL31475686 0.92 CTSL (0.59) CTSLCTSSCTSKCTSHCCKBR
SCHEMBL31475697 0.89 NMBR (0.60) CTSLCTSSCTSKCTSHCCKBR
SCHEMBL30997485 0.89 CTSL (0.53) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30531928 0.89 C5AR1 (0.60) CTSLCTSSCTSKCTSHCCKBR
SCHEMBL31475687 0.88 CTSL (0.66) CTSLCTSSCTSKCTSHNMBR
SCHEMBL30011313 0.88 CCKBR (0.56) CTSLCTSSCTSKCTSHCCKBR
SCHEMBL30767712 0.87 F2 (0.58) CTSLCTSSCTSKCTSHCCKBR
SCHEMBL30033999 0.87 KISS1R (0.57) C5AR1DPP3KISS1R
SCHEMBL29655661 0.86 C5AR1 (0.63) CTSLCTSSCTSKCTSHNMBR

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
US-20250129126-A1 LONG-LASTING HEPATITIS VIRUS ENTRY INHIBITOR Chengdu AODA Biotechnology Co., Ltd (CN) 2025-04-24 — — US claimed
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