SCHEMBL30769646

SCHEMBL30769646

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 1/20 0.65
▸ NTSR1 P30989 1/20 0.65
▸ SORT1 Q99523 1/20 0.65
▸ TACR1 P25103 1/20 0.58
▸ DPP3 Q9NY33 4/20 0.54
▸ CAPN1 P07384 2/20 0.54
▸ CTSB P07858 2/20 0.54
▸ CXCR4 P61073 1/20 0.52
▸ GHSR Q92847 2/20 0.51

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
SCHEMBL29733691 0.90 NTSR2 (0.63) NTSR2NTSR1SORT1TACR1CAPN1
SCHEMBL31242543 0.86 NTSR2 (0.60) NTSR2NTSR1SORT1TACR1CAPN1
SCHEMBL30974182 0.85 NTSR2 (0.70) NTSR2NTSR1SORT1TACR1DPP3
SCHEMBL31238561 0.85 TACR1 (0.57) NTSR2NTSR1SORT1TACR1DPP3
SCHEMBL30518127 0.84 NTSR2 (0.69) NTSR2NTSR1SORT1TACR1DPP3
SCHEMBL30945042 0.84 CXCR4 (0.66) NTSR2NTSR1SORT1CXCR4
SCHEMBL30866236 0.84 NTSR2 (0.60) NTSR2NTSR1SORT1TACR1DPP3
SCHEMBL31105542 0.84 NTSR2 (0.64) NTSR2NTSR1SORT1TACR1DPP3
SCHEMBL31657596 0.83 NTSR2 (0.61) NTSR2NTSR1SORT1TACR1DPP3
SCHEMBL31593371 0.83 CXCR4 (0.60) NTSR2NTSR1SORT1TACR1DPP3

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-4547221-A2 STABLE PEPTIDE COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OF MODERATE/SEVERE DRY EYE-RELATED OCULAR SYMPTOMS TearSolutions, Inc. (US) 2025-05-07 — — EP disclosed
WO-2024006653-A2 STABLE PEPTIDE COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OF MODERATE/SEVERE DRY EYE-RELATED OCULAR SYMPTOMS TEARSOLUTIONS, INC. (US) 2024-01-04 — — WO disclosed
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