SCHEMBL9351673

SCHEMBL9351673

C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.56
▸ ADORA2A P29274 1/20 0.56
▸ ADORA2B P29275 1/20 0.56
▸ ADORA1 P30542 1/20 0.56
▸ KLK5 Q9Y337 1/20 0.51
▸ CMA1 P23946 5/20 0.48
▸ PREP P48147 2/20 0.47
▸ CTSL P07711 1/20 0.47
▸ FKBP1A P62942 3/20 0.47
▸ ACE P12821 1/20 0.46
▸ REN P00797 2/20 0.46
▸ CTSD P07339 1/20 0.46
▸ CTSE P14091 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ PRSS1 P07477 1/20 0.46

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
SCHEMBL9462716 0.95 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL7267896 0.92 ADORA3 (0.58) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL7276997 0.89 ADORA3 (0.57) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL11760193 0.89 PREP (0.57) KLK5CMA1PREPCTSLFKBP1A
SCHEMBL8056455 0.89 PREP (0.57) KLK5CMA1PREPCTSLFKBP1A
SCHEMBL7265704 0.87 PREP (0.61) KLK5CMA1PREPCTSLFKBP1A
SCHEMBL28545846 0.87 PREP (0.61) KLK5CMA1PREPCTSLFKBP1A
SCHEMBL10882017 0.87 PREP (0.61) KLK5CMA1PREPCTSLFKBP1A
SCHEMBL9699149 0.87 PREP (0.61) KLK5CMA1PREPCTSLFKBP1A
SCHEMBL25133623 0.84 KLK5 (0.55) ADORA3ADORA2AADORA2BADORA1KLK5

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-0320034-B1 New immunologically active synthetic peptides useful for preparing an antimalarial vaccine ENIRICERCHE SPA (IT) 1994-08-31 — — EP disclosed
US-4956449-A Forming polypeptides from tetrapeptides condensed and separated by chromatography ENIRICERCHE, S.P.A. (IT) 1990-09-11 — — US disclosed
EP-0320034-A2 New immunologically active synthetic peptides useful for preparing an antimalarial vaccine ENIRICERCHE S.p.A. (IT) 1989-06-14 — — EP disclosed
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