SCHEMBL6602082

SCHEMBL6602082

COC(=O)CCN1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccsc4)cc3)C(=O)O2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.49
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
GRM2 Q14416 1/20 0.40
HTR1A P08908 1/20 0.38
F10 P00742 3/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 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
SCHEMBL6602517 0.94 ITGB3 (0.51) SIGMAR1ITGB3ITGA2BGRM2F10
SCHEMBL6607037 0.93 SIGMAR1 (0.44) SIGMAR1ITGB3ITGA2BGRM2HTR1A
SCHEMBL7306117 0.93 ITGB3 (0.53) SIGMAR1ITGB3ITGA2BGRM2F10
SCHEMBL6603873 0.91 SIGMAR1 (0.44) SIGMAR1ITGB3ITGA2BGRM2F10
SCHEMBL6601642 0.90 SIGMAR1 (0.41) SIGMAR1ITGB3ITGA2BGRM2F10
SCHEMBL6600250 0.89 ITGB3 (0.48) SIGMAR1ITGB3ITGA2BGRM2F10
SCHEMBL6599465 0.88 ITGB3 (0.51) SIGMAR1ITGB3ITGA2BGRM2PRSS1
SCHEMBL6602276 0.87 ITGB3 (0.60) SIGMAR1ITGB3ITGA2BGRM2F10
SCHEMBL6601092 0.87 ITGB3 (0.46) SIGMAR1ITGB3ITGA2BGRM2F10
SCHEMBL6601631 0.87 ITGB3 (0.48) SIGMAR1ITGB3ITGA2BGRM2F10

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
EP-1388540-A1 ACRYLIC ESTERS AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2004-02-11 EP disclosed