SCHEMBL9002587

SCHEMBL9002587

N=C(N)N1CCC[C@@H](CNC(=O)C[C@H](NC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N(CC(=O)O)C2CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.49
TPSAB1 Q15661 1/20 0.44
IL2RA P01589 1/20 0.41
ALB P02768 1/20 0.41
IL2 P60568 1/20 0.41
PRSS1 P07477 1/20 0.38

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 SCHEMBL9002542 0.99 F2 (0.49) F2TPSAB1IL2RAALBIL2
SCHEMBL9002942 0.90 F2 (0.49) F2TPSAB1IL2RAALBIL2
Hydrochloric Acid SCHEMBL9003267 0.90 F2 (0.49) F2TPSAB1IL2RAALBIL2
SCHEMBL9002669 0.89 F2 (0.52) F2TPSAB1IL2RAALBIL2
SCHEMBL9002577 0.88 F2 (0.39) F2TPSAB1
SCHEMBL9003091 0.88 F2 (0.53) F2IL2RAALBIL2
Hydrochloric Acid SCHEMBL9003113 0.88 F2 (0.52) F2TPSAB1IL2RAALBIL2
Hydrochloric Acid SCHEMBL9002532 0.88 F2 (0.40) F2TPSAB1
SCHEMBL9002717 0.87 F2 (0.45) F2TPSAB1IL2RAALBIL2
Hydrochloric Acid SCHEMBL9002965 0.86 F2 (0.46) F2TPSAB1IL2RAALBIL2

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