SCHEMBL30921660

SCHEMBL30921660

C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.64
▸ NTSR2 O95665 1/20 0.61
▸ NTSR1 P30989 1/20 0.61
▸ SORT1 Q99523 1/20 0.61
▸ TACR1 P25103 1/20 0.55
▸ CXCR4 P61073 2/20 0.55
▸ CAPN1 P07384 2/20 0.54
▸ CTSB P07858 2/20 0.54
▸ F13A1 P00488 1/20 0.51
▸ TGM2 P21980 1/20 0.51
▸ C5AR1 P21730 2/20 0.51
▸ OPRM1 P35372 1/20 0.50
▸ KISS1R Q969F8 1/20 0.50
▸ GHSR Q92847 2/20 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
SCHEMBL30921659 0.89 NTSR2 (0.60) DPP3NTSR2NTSR1SORT1TACR1
SCHEMBL30974490 0.89 CXCR4 (0.58) DPP3NTSR2NTSR1SORT1CXCR4
SCHEMBL31158220 0.89 CXCR4 (0.68) NTSR2NTSR1SORT1CXCR4CAPN1
SCHEMBL32681271 0.88 DPP3 (0.66) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL30608996 0.87 CAPN1 (0.58) DPP3NTSR2NTSR1SORT1TACR1
SCHEMBL30921661 0.87 NTSR2 (0.55) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL30018500 0.86 DPP3 (0.67) DPP3NTSR2NTSR1SORT1TACR1
SCHEMBL31127559 0.86 GHSR (0.60) DPP3NTSR2NTSR1SORT1TACR1
SCHEMBL32681285 0.85 CAPN1 (0.63) DPP3NTSR2NTSR1SORT1CXCR4
SCHEMBL30735734 0.85 CXCR4 (0.58) DPP3NTSR2NTSR1SORT1CXCR4

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
EP-4613260-A1 COMPOUNDS AND COSMETIC, DERMOCOSMETIC, COSMECEUTICAL OR PHARMACEUTICAL COMPOSITIONS FOR RELAXING MUSCLES, INCLUDING THE SKELETAL MUSCLES OF THE FACE, FOR ANTI-AGING COSMETIC ACTION, FOR REDUCING AND/OR SMOOTHING EXPRESSION LINES AND WRINKLES AND/OR FOR ANTIPERSPIRANT ACTION, USES AND METHODS Chemyunion Ltda (BR) 2025-09-10 — — EP disclosed
WO-2024092334-A1 COMPOUNDS AND COSMETIC, DERMOCOSMETIC, COSMECEUTICAL OR PHARMACEUTICAL COMPOSITIONS FOR RELAXING MUSCLES, INCLUDING THE SKELETAL MUSCLES OF THE FACE, FOR ANTI-AGING COSMETIC ACTION, FOR REDUCING AND/OR SMOOTHING EXPRESSION LINES AND WRINKLES AND/OR FOR ANTIPERSPIRANT ACTION, USES AND METHODS CHEMYUNION LTDA (BR) 2024-05-10 — — WO disclosed
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