SCHEMBL3859570

SCHEMBL3859570

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.58
▸ OPRM1 P35372 3/20 0.58
▸ CAPN1 P07384 2/20 0.57
▸ CTSB P07858 2/20 0.57
▸ DPP3 Q9NY33 5/20 0.54
▸ OPRD1 P41143 2/20 0.53
▸ OPRK1 P41145 1/20 0.53

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
SCHEMBL3859567 1.00 KISS1R (0.58) KISS1ROPRM1CAPN1CTSBDPP3
SCHEMBL30679613 0.88 CAPN1 (0.55) KISS1RCAPN1CTSBDPP3
Spinorphin SCHEMBL25273730 0.84 KISS1R (0.60) KISS1ROPRM1CAPN1CTSBDPP3
Spinorphin SCHEMBL25217672 0.84 KISS1R (0.60) KISS1ROPRM1CAPN1CTSBDPP3
Spinorphin SCHEMBL29977609 0.84 KISS1R (0.60) KISS1ROPRM1CAPN1CTSBDPP3
SCHEMBL30413052 0.84 DPP3 (0.66) KISS1ROPRM1CAPN1CTSBDPP3
SCHEMBL30392261 0.83 DPP3 (0.61) KISS1ROPRM1CAPN1CTSBDPP3
SCHEMBL30679614 0.82 CAPN1 (0.55) KISS1RCAPN1CTSBDPP3OPRK1
SCHEMBL31071616 0.82 DPP3 (0.73) KISS1ROPRM1DPP3
SCHEMBL29804127 0.82 DPP3 (0.73) KISS1ROPRM1DPP3

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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