SCHEMBL7418344

SCHEMBL7418344

CC(=O)OC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)N)cc2)C1=O

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.80
ITGA2B P08514 16/20 0.80
FPR2 P25090 3/20 0.39
FPR1 P21462 2/20 0.38
PRSS1 P07477 5/20 0.38
PRSS2 P07478 5/20 0.38
PRSS3 P35030 5/20 0.38
F10 P00742 2/20 0.38
F9 P00740 1/20 0.36

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
SCHEMBL9095786 0.94 ITGB3 (0.71) ITGB3ITGA2BFPR2FPR1PRSS1
SCHEMBL7451885 0.91 ITGB3 (0.84) ITGB3ITGA2BFPR2FPR1
Hydrochloric Acid SCHEMBL7451874 0.90 ITGB3 (0.82) ITGB3ITGA2BFPR2FPR1
Orbofiban SCHEMBL7854981 0.89 ITGB3 (1.00) ITGB3ITGA2BFPR2FPR1PRSS1
Orbofiban SCHEMBL7415135 0.89 ITGB3 (1.00) ITGB3ITGA2BFPR2FPR1PRSS1
Orbofiban SCHEMBL7417473 0.88 ITGB3 (0.95) ITGB3ITGA2BFPR2FPR1PRSS1
SCHEMBL7411805 0.88 ITGB3 (0.73) ITGB3ITGA2BFPR2FPR1
SCHEMBL7448817 0.88 ITGB3 (0.73) ITGB3ITGA2BFPR2FPR1
SCHEMBL7448793 0.88 ITGB3 (0.78) ITGB3ITGA2BFPR2FPR1PRSS1
Acetic Acid SCHEMBL7418342 0.87 ITGB3 (0.75) ITGB3ITGA2BFPR2FPR1PRSS1

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-5484946-A CYCLIZATION AND DEHYDRATION A METHIONINE DERIVATIVE G. D. SEARLE & CO. (US) 1996-01-16 US disclosed