SCHEMBL3858200

SCHEMBL3858200

CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)CN)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.56
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ SORT1 Q99523 1/20 0.52
▸ CAPN1 P07384 2/20 0.51
▸ CTSB P07858 2/20 0.51
▸ OPRM1 P35372 1/20 0.48

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
SCHEMBL3858206 1.00 DPP3 (0.56) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL31396846 0.86 DPP3 (0.56) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL31396847 0.85 DPP3 (0.56) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL29973443 0.84 DPP3 (0.57) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL3855087 0.84 ACE (0.56) —
SCHEMBL3855086 0.84 ACE (0.56) —
SCHEMBL30478003 0.84 DPP3 (0.52) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL30608427 0.83 NTSR2 (0.57) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL30679613 0.81 CAPN1 (0.55) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL3859570 0.81 KISS1R (0.58) DPP3CAPN1CTSBOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090210959-A1 METHOD FOR PRODUCTION OF SAPONARIA FROM MICROSPORES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2009-08-20 — — US disclosed
EP-1876882-A4 METHOD FOR PRODUCTION OF SAPONARIA FROM MICROSPORES CA NAT RESEARCH COUNCIL (CA) 2009-01-14 — — EP disclosed
EP-1876882-A1 METHOD FOR PRODUCTION OF SAPONARIA FROM MICROSPORES National Research Council of Canada (CA) 2008-01-16 — — EP disclosed
WO-2006116876-A1 METHOD FOR PRODUCTION OF SAPONARIA FROM MICROSPORES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2006-11-09 — — WO disclosed
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