SCHEMBL30165155

SCHEMBL30165155

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 6/20 0.53
▸ C5AR1 P21730 2/20 0.50
▸ CTSL P07711 3/20 0.50
▸ CTSS P25774 3/20 0.50
▸ CTSK P43235 3/20 0.50
▸ TACR1 P25103 2/20 0.50
▸ CTSH P09668 1/20 0.50
▸ UTS2R Q9UKP6 1/20 0.48
▸ NTSR2 O95665 1/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ SORT1 Q99523 1/20 0.47
▸ KISS1R Q969F8 1/20 0.46
▸ NMBR P28336 1/20 0.45
▸ GRPR P30550 1/20 0.45

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
SCHEMBL30272509 0.90 CTSL (0.48) CTSLCTSSCTSKCTSH
SCHEMBL31347814 0.90 C5AR1 (0.48) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL30788337 0.87 CXCR4 (0.62) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL31003037 0.87 UTS2R (0.54) UTS2R
SCHEMBL31483961 0.85 C5AR1 (0.59) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL30183179 0.83 CTSL (0.58) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL31040596 0.83 CTSL (0.59) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL29498130 0.83 NTSR2 (0.57) TACR1NTSR2NTSR1SORT1
SCHEMBL30311056 0.83 DPP3 (0.52) —
SCHEMBL30904766 0.83 C5AR1 (0.65) CXCR4C5AR1CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115746104-A Preparation method of Bulevirtide 深圳市健翔生物制药有限公司 2023-03-07 — — CN claimed
CN-115746103-A Preparation method of Bulevirtide 深圳市健翔生物制药有限公司 2023-03-07 — — CN claimed
CN-115746102-A Method for preparing Bulevirtide by combining solid phase with liquid phase 深圳市健翔生物制药有限公司 2023-03-07 — — CN claimed
CN-115746102-A Method for preparing Bulevirtide by combining solid phase with liquid phase 深圳市健翔生物制药有限公司 2023-03-07 — — CN disclosed
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