SCHEMBL9112028

SCHEMBL9112028

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

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 1/20 0.62
▸ GHSR Q92847 4/20 0.57
▸ ERBB2 P04626 1/20 0.54
▸ MAGI3 Q5TCQ9 1/20 0.54
▸ KISS1R Q969F8 5/20 0.54
▸ IL23R Q5VWK5 1/20 0.51

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
SCHEMBL9143491 0.93 GHSR (0.58) UTS2RGHSRMAGI3
SCHEMBL29550892 0.90 GHSR (0.62) UTS2RGHSRKISS1RIL23R
SCHEMBL7155308 0.90 IL23R (0.58) GHSRKISS1RIL23R
SCHEMBL29550711 0.88 GHSR (0.59) UTS2RGHSRKISS1RIL23R
SCHEMBL29550696 0.88 GHSR (0.67) GHSRKISS1R
SCHEMBL29550653 0.87 GHSR (0.59) UTS2RGHSRERBB2KISS1RIL23R
SCHEMBL31105552 0.87 GHSR (0.58) UTS2RGHSRKISS1R
SCHEMBL31171030 0.87 GHSR (0.70) GHSR
SCHEMBL29550709 0.86 KISS1R (0.61) UTS2RGHSRKISS1RIL23R
SCHEMBL7151611 0.86 IL23R (0.62) GHSRIL23R

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-5464935-A Peptide inhibitors of selectin binding CENTOCOR, INC. (US) 1995-11-07 — — US disclosed
EP-0652897-A4 PEPTIDE INHIBITORS OF SELECTIN BINDING. CENTOCOR INC (US) 1995-09-20 — — EP disclosed
EP-0652897-A1 PEPTIDE INHIBITORS OF SELECTIN BINDING CENTOCOR INC. (US) 1995-05-17 — — EP disclosed
WO-1993024527-A1 PEPTIDE INHIBITORS OF SELECTIN BINDING CENTOCOR, INC. (US) 1993-12-09 — — WO disclosed
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