SCHEMBL7898282

SCHEMBL7898282

COc1cc(C)c(S(=O)(=O)N[C@H](CCCNC(=N)N)C(=O)O)c(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.54
AVPR1A P37288 7/20 0.47
PLG P00747 1/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
BMP1 P13497 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL1509781 1.00 AVPR1B (0.54) AVPR1BAVPR1APLGITGB3ITGA2B
SCHEMBL30007346 1.00 AVPR1B (0.54) AVPR1BAVPR1APLGITGB3ITGA2B
SCHEMBL1509780 1.00 AVPR1B (0.54) AVPR1BAVPR1APLGITGB3ITGA2B
SCHEMBL9329697 0.93 AVPR1B (0.52) AVPR1BAVPR1APLGBMP1F2
Phenylalanine SCHEMBL6286710 0.90 AVPR1B (0.59) AVPR1BAVPR1APLGBMP1F2
SCHEMBL2873083 0.88 AVPR1B (0.48) AVPR1BAVPR1APLGBMP1F2
SCHEMBL1738663 0.88 AVPR1B (0.52) AVPR1BAVPR1APLGBMP1
SCHEMBL29816989 0.88 AVPR1B (0.48) AVPR1BAVPR1APLGBMP1F2
SCHEMBL3501647 0.87 AVPR1B (0.47) AVPR1BAVPR1APLGBMP1F2
SCHEMBL7368157 0.87 AVPR1B (0.47) AVPR1BAVPR1APLGBMP1F2

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
US-6180767-B1 CONJUGATE OF A PEPTIDE NUCLEIC ACID(PNA) OLIGOMER CONJUGATED TO A PEPTIDE CAPABLE OF BINDING WITH A CELL SURFACE RECEPTOR, CONJUGATED DIRECTLY BY CHEMICAL BOND OR BY A LINKER OF AMINO ACID(S); PEPTIDE FACILITATES CELLULAR UPTAKE OF THE PNA THOMAS JEFFERSON UNIVERSITY 2001-01-30 US disclosed
EP-0375058-A2 New retro-inverso analogues of trymopentin, the method for their synthesis and their use in the preparation of pharmaceutical compositions SCLAVO S.p.A. (IT) 1990-06-27 EP disclosed