SCHEMBL9002923

SCHEMBL9002923

N=C(N)N1CCC[C@@H](CNC(=O)C[C@H](NC(=O)OCC2CCCCC2)C(=O)N(CC(=O)O)C2CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.43
IL2RA P01589 1/20 0.37
ALB P02768 1/20 0.37
IL2 P60568 1/20 0.37
PRSS1 P07477 1/20 0.35
TPSAB1 Q15661 2/20 0.34
CTSK P43235 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
F2R P25116 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
Hydrochloric Acid SCHEMBL9002991 0.99 F2 (0.44) F2IL2RAALBIL2PRSS1
SCHEMBL9002717 0.88 F2 (0.45) F2IL2RAALBIL2PRSS1
Hydrochloric Acid SCHEMBL9002965 0.87 F2 (0.46) F2IL2RAALBIL2PRSS1
SCHEMBL9002928 0.86 F2 (0.47) F2IL2RAALBIL2PRSS1
SCHEMBL9002917 0.86 F2 (0.34) F2CTSK
Hydrochloric Acid SCHEMBL9003001 0.86 F2 (0.48) F2IL2RAALBIL2PRSS1
Hydrochloric Acid SCHEMBL9002987 0.85 F2 (0.35) F2CTSK
SCHEMBL7386828 0.84 CTSK (0.35) F2IL2RAALBIL2PRSS1
Hydrochloric Acid SCHEMBL9002977 0.84 CTSK (0.34) F2IL2RAALBIL2PRSS1
SCHEMBL24324304 0.82 F2 (0.44) F2TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559232-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-09-24 US disclosed