SCHEMBL31634547

SCHEMBL31634547

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.57
▸ CTSB P07858 2/20 0.57
▸ CXCL8 P10145 5/20 0.57
▸ DPP3 Q9NY33 1/20 0.56
▸ OPRM1 P35372 1/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ TACR1 P25103 1/20 0.56
▸ CCKBR P32239 1/20 0.55

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
SCHEMBL31433370 0.89 CXCL8 (0.57) CAPN1CTSBCXCL8DPP3TACR1
SCHEMBL29974089 0.88 DPP3 (0.66) CAPN1CTSBDPP3OPRM1OPRD1
SCHEMBL30957021 0.86 DPP3 (0.59) CAPN1CTSBCXCL8DPP3TACR1
Endomorphin-1 SCHEMBL29390342 0.86 — —
Endomorphin-1 SCHEMBL29379764 0.86 — —
Endomorphin-1 SCHEMBL29577928 0.86 — —
Endomorphin-1 SCHEMBL21811384 0.86 — —
SCHEMBL30610091 0.85 DPP3 (0.69) DPP3OPRM1OPRD1OPRK1
SCHEMBL29648960 0.85 DPP3 (0.69) DPP3OPRM1OPRD1OPRK1
SCHEMBL30052748 0.85 MEN1 (0.65) DPP3TACR1

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-120201996-A Use of nanocarriers for active agent delivery 兰达实验室(2012)有限公司 2025-06-24 — — CN disclosed
Send feedback