SCHEMBL8948623

SCHEMBL8948623

CC(C)(C)OC(=O)C1CCN(CC2CN(c3ccc(N)cc3)C(=O)O2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.48
GRM2 Q14416 1/20 0.46
ITGB3 P05106 4/20 0.45
ITGA2B P08514 4/20 0.45
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
F10 P00742 2/20 0.43

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
SCHEMBL8948804 0.91 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948671 0.88 GRM2 (0.49) SIGMAR1GRM2ITGB3ITGA2B
SCHEMBL8948666 0.88 GRM2 (0.49) SIGMAR1GRM2ITGB3ITGA2B
SCHEMBL8948496 0.88 ITGB3 (0.47) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948655 0.88 SIGMAR1 (0.44) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8312792 0.86 SIGMAR1 (0.46) SIGMAR1GRM2ITGB3ITGA2B
SCHEMBL27446990 0.84 ITGB3 (0.51) SIGMAR1GRM2ITGB3ITGA2BPRSS1
SCHEMBL30919728 0.80 CHRM4 (0.45)
SCHEMBL8948634 0.78 GRM2 (0.47) SIGMAR1GRM2F10
SCHEMBL27354608 0.78 KDM4E (0.40) SIGMAR1ITGB3ITGA2BPRSS1PRSS2

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