SCHEMBL8120634

SCHEMBL8120634

COC(=O)c1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=N)N)C(=O)NCC(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ TMPRSS15 P98073 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ LNPEP Q9UIQ6 3/20 0.36
▸ ROCK2 O75116 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TPSAB1 Q15661 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ERAP2 Q6P179 1/20 0.34
▸ EPOR P19235 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NR3C1 P04150 1/20 0.33

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
SCHEMBL8121296 0.91 F2 (0.38) PRSS1ITGB3ITGA2BF2F10
SCHEMBL8122704 0.91 TPSAB1 (0.36) PRSS1ITGB3ITGA2BTMPRSS15TPSAB1
SCHEMBL8112784 0.90 CNR1 (0.41) ALDH1A1EPOR
SCHEMBL8126542 0.90 TDP1 (0.36) PRSS1ITGB3ITGA2BTMPRSS15F2
SCHEMBL8128254 0.90 TPSAB1 (0.38) PRSS1ITGB3ITGA2BTMPRSS15F10
SCHEMBL8112714 0.89 MEN1 (0.42) PRSS1ITGB3ITGA2BF2F10
SCHEMBL8127029 0.88 NPY1R (0.41) EPOR
SCHEMBL8120085 0.88 CNR1 (0.36) TPSAB1EPORTDP1
SCHEMBL8122513 0.88 HDAC3 (0.37) EPORTDP1
SCHEMBL8121122 0.88 TMEM97 (0.42) ITGB3ITGA2BTPSAB1

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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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