SCHEMBL29566581

SCHEMBL29566581

NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.46
▸ FDFT1 P37268 2/20 0.44
▸ F2 P00734 5/20 0.44
▸ KMT2A Q03164 1/20 0.41
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PRCP P42785 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ RCOR1 Q9UKL0 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA5 P08648 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL29750784 0.94 ACE (0.45) CTRB1FDFT1F2PRCPACE
SCHEMBL29777648 0.94 ACE (0.49) CTRB1FDFT1F2PRCPACE
SCHEMBL30585183 0.91 CTRB1 (0.45) CTRB1FDFT1F2KMT2AMDM4
SCHEMBL29858987 0.91 CTRB1 (0.46) CTRB1FDFT1F2KMT2AMDM4
SCHEMBL29749447 0.89 CTRB1 (0.48) CTRB1FDFT1F2KMT2AMDM4
SCHEMBL29706288 0.89 CTRB1 (0.55) CTRB1FDFT1F2KMT2AMDM4
SCHEMBL30690096 0.88 FDFT1 (0.56) CTRB1FDFT1F2KMT2APRCP
SCHEMBL29868206 0.88 CTRB1 (0.56) CTRB1F2KMT2AACEITGB1
SCHEMBL6434028 0.88 CTRB1 (0.56) CTRB1F2KMT2AACEITGB1
SCHEMBL29777638 0.88 ACE (0.47) F2PRCPACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120058841-A Synthesis method of snake venom tetrapeptide 上海鲲诺生物科技有限公司 2025-05-30 — — CN claimed
CN-120058841-A Synthesis method of snake venom tetrapeptide 上海鲲诺生物科技有限公司 2025-05-30 — — CN disclosed
CN-115043903-B Liquid phase synthesis method of snake venom-like tripeptide 浙江湃肽生物股份有限公司 2023-03-28 — — CN disclosed
CN-115043903-A Liquid phase synthesis method of snake venom-like tripeptide 浙江湃肽生物股份有限公司 2022-09-13 — — CN disclosed
CN-114380887-A Liquid phase fragment synthesis method of snake venom-like tripeptide 深圳翰宇药业股份有限公司 2022-04-22 — — CN disclosed
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