SCHEMBL8937035

SCHEMBL8937035

C[C@H](NC(=O)[C@H](CCCNC(=N)N)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 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 8/20 0.56
▸ CTSL P07711 3/20 0.55
▸ CTSS P25774 3/20 0.55
▸ CTSK P43235 3/20 0.55
▸ CTSH P09668 1/20 0.55
▸ TACR1 P25103 1/20 0.54
▸ KISS1R Q969F8 1/20 0.53
▸ CXCL8 P10145 4/20 0.50
▸ TACR2 P21452 2/20 0.50
▸ C5AR1 P21730 1/20 0.50

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
SCHEMBL8073467 0.94 TACR1 (0.54) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL3089689 0.93 CXCR4 (0.57) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL3089699 0.93 CXCR4 (0.57) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29463731 0.90 CXCR4 (0.58) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL38651161 0.89 CXCR4 (0.56) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29845416 0.88 KISS1R (0.57) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30381291 0.88 KISS1R (0.56) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30597309 0.88 DPP3 (0.57) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31668913 0.87 C5AR1 (0.61) CXCR4TACR1C5AR1
SCHEMBL31725194 0.87 CTSL (0.63) CXCR4CTSLCTSSCTSKCTSH

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 3 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
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