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SCHEMBL7325635

SCHEMBL7325635

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.57
▸ GLP1R P43220 10/20 0.57
▸ KEAP1 Q14145 1/20 0.56
▸ ECE1 P42892 1/20 0.56
▸ MUS81 Q96NY9 1/20 0.56
▸ GCGR P47871 1/20 0.56
▸ GIPR P48546 1/20 0.56
▸ IL23R Q5VWK5 3/20 0.55
▸ PTH1R Q03431 2/20 0.55
▸ ERBB2 P04626 1/20 0.55
▸ CCKBR P32239 1/20 0.55
▸ NR3C1 P04150 1/20 0.54

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
SCHEMBL30607368 0.94 GLP1R (0.60) RXFP1GLP1RECE1MUS81GCGR
SCHEMBL30860112 0.89 GLP1R (0.61) GLP1RKEAP1ECE1MUS81GCGR
SCHEMBL29791677 0.89 GLP1R (0.62) RXFP1GLP1RECE1MUS81GCGR
SCHEMBL7155308 0.88 IL23R (0.58) IL23R
SCHEMBL30130552 0.88 RXFP1 (0.54) RXFP1GLP1RECE1MUS81IL23R
SCHEMBL7157397 0.88 IL23R (0.56) RXFP1KEAP1IL23R
SCHEMBL30277746 0.88 PTH1R (0.56) RXFP1KEAP1IL23RPTH1R
SCHEMBL30093124 0.88 RXFP1 (0.53) RXFP1GLP1RECE1MUS81IL23R
SCHEMBL30701871 0.87 IL23R (0.58) GLP1RKEAP1ECE1MUS81GCGR
SCHEMBL30701867 0.87 IL23R (0.58) GLP1RKEAP1ECE1MUS81GCGR

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
US-6111065-A INHIBIT NEUTROPHIL ADHESION TO P-SELECTIN; ANTIINFLAMMATORY AGENTS; ANTICOAGULANTS; DIAGNOSTICS CENTOCOR, INC. (US) 2000-08-29 — — US disclosed
EP-0602194-A1 PEPTIDE INHIBITORS OF INFLAMMATION MEDIATED BY SELECTINS CENTOCOR, INC. (US) 1994-06-22 — — EP disclosed
WO-1994004568-A1 PEPTIDE INHIBITORS OF INFLAMMATION MEDIATED BY SELECTINS CENTOCOR, INC. (US) 1994-03-03 — — WO disclosed
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