SCHEMBL8948588

SCHEMBL8948588

CCOC(=O)CN1CCN(CC2CN(c3ccc(C(=N)N)cc3)C(=O)O2)CC1=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.61
ITGA2B P08514 11/20 0.61
PRSS1 P07477 9/20 0.52
PRSS2 P07478 9/20 0.52
PRSS3 P35030 9/20 0.52
F10 P00742 8/20 0.51
F2 P00734 1/20 0.43
GRM2 Q14416 1/20 0.40
SIGMAR1 Q99720 6/20 0.40

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
SCHEMBL8318129 0.92 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948633 0.89 ITGB3 (0.75) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948635 0.89 ITGB3 (0.75) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948638 0.89 ITGB3 (0.75) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7313929 0.88 ITGB3 (0.58) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8310891 0.87 ITGB3 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7308082 0.87 ITGB3 (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7310705 0.86 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7307464 0.86 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948646 0.85 ITGB3 (0.53) ITGB3ITGA2BGRM2SIGMAR1

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-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed