SCHEMBL8355470

SCHEMBL8355470

Cc1ccc(CCC2C(CN3CCC(C(=O)O)CC3)OC(=O)N2C2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.36
ITGB3 P05106 5/20 0.34
ITGA2B P08514 5/20 0.34
DRD4 P21917 1/20 0.34
SLC6A4 P31645 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
S1PR1 P21453 2/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR4 O95977 1/20 0.33
S1PR3 Q99500 1/20 0.33
HTR7 P34969 2/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8356687 0.86 HTR7 (0.36) F10ITGB3ITGA2BF2PRSS1
SCHEMBL8355474 0.86 ITGB3 (0.38) F10ITGB3ITGA2BF2PRSS1
SCHEMBL8352568 0.86 S1PR5 (0.37) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8352849 0.82 ITGB3 (0.39) F10ITGB3ITGA2BF2PRSS1
SCHEMBL8357014 0.79 LSS (0.39) F10ITGB3ITGA2B
SCHEMBL8349143 0.77 NOTUM (0.41) F10ITGB3ITGA2BF2
SCHEMBL8356607 0.77 HRH3 (0.36) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8352050 0.77 ALDH1A1 (0.35) F10ITGB3ITGA2BF2PRSS1
SCHEMBL8592389 0.76 HRH3 (0.38) ITGB3ITGA2BDRD4SLC6A4HTR7
SCHEMBL8592465 0.75 HRH3 (0.38) ITGB3ITGA2BHTR7

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-5972947-A ANTICOAGULANT, CARDIOVASCULAR DISORDERS, ANTIINFLAMMATORY AGENTS, OSTEOPOROSIS, ANTITUMOR AGENT ROCHE DIAGNOSTICS GMBH (DE) 1999-10-26 US disclosed