SCHEMBL7276997

SCHEMBL7276997

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.57
▸ ADORA2A P29274 1/20 0.57
▸ ADORA2B P29275 1/20 0.57
▸ ADORA1 P30542 1/20 0.57
▸ CMA1 P23946 14/20 0.55
▸ F2 P00734 1/20 0.55
▸ PRSS1 P07477 1/20 0.55
▸ KLK5 Q9Y337 1/20 0.53
▸ CTRC Q99895 1/20 0.51
▸ ACE P12821 1/20 0.51
▸ CTSL P07711 1/20 0.50
▸ FKBP1A P62942 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
SCHEMBL7267896 0.97 ADORA3 (0.58) ADORA3ADORA2AADORA2BADORA1CMA1
SCHEMBL9462716 0.93 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1CMA1
SCHEMBL30859278 0.89 KLK5 (0.55) ADORA3ADORA2AADORA2BADORA1CMA1
SCHEMBL25133623 0.89 KLK5 (0.55) ADORA3ADORA2AADORA2BADORA1CMA1
SCHEMBL9351673 0.89 ADORA3 (0.56) ADORA3ADORA2AADORA2BADORA1CMA1
SCHEMBL38652049 0.88 ACE (0.54) ADORA3ADORA2AADORA2BADORA1CMA1
SCHEMBL10403794 0.87 ACE (0.56) CMA1F2PRSS1KLK5ACE
SCHEMBL7537159 0.87 ACE (0.63) CMA1F2PRSS1KLK5ACE
SCHEMBL7148899 0.87 ACE (0.63) CMA1F2PRSS1KLK5ACE
SCHEMBL8364102 0.85 ACE (0.54) CMA1F2PRSS1KLK5CTRC

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-0345867-B1 NOVEL SYNTHETIC, IMMUNOLOGICALLY ACTIVE PEPTIDES USEFUL FOR THE PREPARATION OF ANTIMALARIAL VACCINES ENIRICERCHE S.p.A. (IT) 1993-04-07 — — EP disclosed
EP-0345867-A1 Novel synthetic, immunologically active peptides useful for the preparation of antimalarial vaccines ENIRICERCHE S.p.A. (IT) 1989-12-13 — — EP disclosed
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