SCHEMBL8073467

SCHEMBL8073467

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.54
▸ CXCR4 P61073 5/20 0.52
▸ KISS1R Q969F8 1/20 0.51
▸ CTSL P07711 3/20 0.50
▸ CTSS P25774 3/20 0.50
▸ CTSK P43235 3/20 0.50
▸ CTSH P09668 1/20 0.50
▸ C5AR1 P21730 1/20 0.50
▸ DPP3 Q9NY33 1/20 0.49
▸ CTNNB1 P35222 1/20 0.48
▸ CAPN1 P07384 2/20 0.48
▸ CTSB P07858 2/20 0.48
▸ CXCL8 P10145 5/20 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
SCHEMBL8937035 0.94 CXCR4 (0.56) TACR1CXCR4KISS1RCTSLCTSS
SCHEMBL38651161 0.93 CXCR4 (0.56) TACR1CXCR4KISS1RCTSLCTSS
SCHEMBL30597309 0.92 DPP3 (0.57) TACR1CXCR4KISS1RCTSLCTSS
SCHEMBL29845416 0.92 KISS1R (0.57) TACR1CXCR4KISS1RCTSLCTSS
SCHEMBL30381291 0.91 KISS1R (0.56) TACR1CXCR4KISS1RCTSLCTSS
SCHEMBL3089699 0.90 CXCR4 (0.57) TACR1CXCR4KISS1RCTSLCTSS
SCHEMBL3089689 0.90 CXCR4 (0.57) TACR1CXCR4KISS1RCTSLCTSS
SCHEMBL31005883 0.89 KISS1R (0.57) CXCR4KISS1RCTSLCTSSCTSK
SCHEMBL30307184 0.88 CXCR4 (0.56) TACR1CXCR4KISS1RCTSLCTSS
SCHEMBL29973266 0.88 TACR1 (0.70) TACR1CXCR4KISS1RC5AR1DPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673384-A4 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS. UNIV MINNESOTA (US) 1996-10-09 — — EP claimed
EP-0673384-A1 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-09-27 — — EP claimed
WO-1994013692-A1 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-06-23 — — WO claimed
EP-1018977-A4 METHOD AND IMPLANTABLE ARTICLE FOR PROMOTING ENDOTHELIALIZATION SURMODICS INC (US) 2000-11-08 — — EP disclosed
EP-1018977-A1 METHOD AND IMPLANTABLE ARTICLE FOR PROMOTING ENDOTHELIALIZATION SurModics, Inc. (US) 2000-07-19 — — EP disclosed
WO-1996037165-A1 METHOD AND IMPLANTABLE ARTICLE FOR PROMOTING ENDOTHELIALIZATION BSI CORPORATION (US) 1996-11-28 — — WO disclosed
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