SCHEMBL8948703

SCHEMBL8948703

CC(C)(C)C1CC(OCC(=O)O)CCN1CC1CN(c2ccc(CN)cc2)C(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.36
ITGB3 P05106 5/20 0.36
ITGA2B P08514 5/20 0.36
F10 P00742 5/20 0.36
PRSS1 P07477 4/20 0.36
PRSS2 P07478 4/20 0.36
PRSS3 P35030 4/20 0.36
F2 P00734 1/20 0.36
GRM2 Q14416 4/20 0.35

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
SCHEMBL8948799 0.87 GRM2 (0.44) SIGMAR1GRM2
SCHEMBL8948654 0.84 RECQL (0.36) SIGMAR1ITGB3ITGA2BF10PRSS1
SCHEMBL8948664 0.83 SIGMAR1 (0.45) SIGMAR1ITGB3ITGA2BF10GRM2
SCHEMBL8948710 0.80 SIGMAR1 (0.43) SIGMAR1ITGB3ITGA2BF10GRM2
SCHEMBL8948593 0.79 SIGMAR1 (0.41) SIGMAR1ITGB3ITGA2BF10PRSS1
SCHEMBL8948693 0.77 SIGMAR1 (0.43) SIGMAR1ITGB3ITGA2B
SCHEMBL8948841 0.75 GRM2 (0.47) SIGMAR1ITGB3ITGA2BGRM2
SCHEMBL7523776 0.74 ITGB3 (0.38) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8316462 0.73 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2BF10GRM2
SCHEMBL8310904 0.73 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2BF10GRM2

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