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SCHEMBL7324578

SCHEMBL7324578

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.64
▸ ERAP2 Q6P179 2/20 0.54
▸ CCKBR P32239 12/20 0.54
▸ GHSR Q92847 1/20 0.50
▸ IL1RN P18510 1/20 0.49
▸ ERAP1 Q9NZ08 1/20 0.49
▸ KISS1R Q969F8 2/20 0.49

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
SCHEMBL7329450 0.98 ERBB2 (0.64) ERBB2ERAP2CCKBRIL1RNERAP1
SCHEMBL8182752 0.98 ERBB2 (0.64) ERBB2ERAP2CCKBRIL1RNERAP1
SCHEMBL8182763 0.96 ERBB2 (0.67) ERBB2ERAP2CCKBRGHSRKISS1R
SCHEMBL7332565 0.91 ERBB2 (0.62) ERBB2ERAP2CCKBRGHSRKISS1R
SCHEMBL30574266 0.91 ERBB2 (0.56) ERBB2ERAP2CCKBRGHSR
SCHEMBL8176476 0.91 ERBB2 (0.63) ERBB2ERAP2CCKBRKISS1R
SCHEMBL30772214 0.89 ERAP2 (0.64) ERBB2ERAP2IL1RNERAP1
SCHEMBL7328007 0.89 ERBB2 (0.69) ERBB2CCKBRKISS1R
SCHEMBL29404414 0.88 ERBB2 (0.61) ERBB2ERAP2GHSRKISS1R
SCHEMBL5710731 0.87 ERAP2 (0.56) ERBB2ERAP2CCKBRGHSRKISS1R

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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