SCHEMBL31396846

SCHEMBL31396846

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.56
▸ NTSR2 O95665 1/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ SORT1 Q99523 1/20 0.47
▸ ITGB2 P05107 1/20 0.46
▸ ICAM1 P05362 1/20 0.46
▸ ITGAL P20701 1/20 0.46
▸ C5AR1 P21730 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSH P09668 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ TACR1 P25103 1/20 0.45
▸ CAPN1 P07384 1/20 0.44
▸ CTSB P07858 1/20 0.44

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
SCHEMBL31091345 0.91 DPP3 (0.57) DPP3NTSR2NTSR1SORT1ITGB2
SCHEMBL31396845 0.90 DPP3 (0.54) DPP3NTSR2NTSR1SORT1C5AR1
SCHEMBL31396847 0.88 DPP3 (0.56) DPP3NTSR2NTSR1SORT1ITGB2
SCHEMBL3858206 0.86 DPP3 (0.56) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL3858200 0.86 DPP3 (0.56) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL30478003 0.84 DPP3 (0.52) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL30974523 0.83 CXCR4 (0.57) C5AR1CAPN1CTSB
SCHEMBL8355434 0.82 CXCR4 (0.55) TACR1
SCHEMBL8355463 0.82 CXCR4 (0.55) TACR1
SCHEMBL31670646 0.82 DPP3 (0.54) DPP3NTSR2NTSR1SORT1C5AR1

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
CN-119424371-A ERK2-siRNA nano delivery system, preparation and application thereof in inhibiting vascular intimal hyperplasia 福建医科大学附属第一医院 2025-02-14 — — CN disclosed
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