SCHEMBL16673595

SCHEMBL16673595

NC(CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)O)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 1/20 0.58
▸ ITGB2 P05107 3/20 0.55
▸ ICAM1 P05362 3/20 0.55
▸ ITGAL P20701 3/20 0.55
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ REN P00797 2/20 0.50
▸ MME P08473 1/20 0.50
▸ ECE1 P42892 1/20 0.50
▸ SLC15A2 Q16348 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ SLC7A5 Q01650 1/20 0.50
▸ SLC6A5 Q9Y345 1/20 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
SCHEMBL16673383 0.91 ITGB2 (0.50) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL16673388 0.87 ITGB2 (0.49) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL18381306 0.86 CYP3A4 (0.55) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL16673377 0.85 ITGB2 (0.56) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL9829801 0.84 AGTR2 (0.60) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL29971719 0.84 REN (0.60) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL28133942 0.84 REN (0.60) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL9554563 0.84 GGT1 (0.55) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL18222584 0.83 CYP3A4 (0.65) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL28042757 0.82 SLC15A2 (0.70) AGTR2ITGB2ICAM1ITGALREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041157-B1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA SPA (IT) 2015-05-06 — — EP claimed
EP-2041157-B1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA SPA (IT) 2015-05-06 — — EP disclosed
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