SCHEMBL8355453

SCHEMBL8355453

N=C(N)Nc1nccc(N2CCC(N3CC(CN4CCC(C(=O)O)CC4)OC3=O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.39
ITGB3 P05106 7/20 0.39
ITGA2B P08514 7/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
HTR2B P41595 3/20 0.39
F2 P00734 3/20 0.39
SYK P43405 2/20 0.38
HRH4 Q9H3N8 4/20 0.35
HRH3 Q9Y5N1 3/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 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
SCHEMBL8352204 0.93 SYK (0.40) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8550242 0.90 HTR2B (0.38) HTR2BHRH4HRH3JAK2JAK1
SCHEMBL8349896 0.88 SYK (0.43) F10ITGB3ITGA2BHTR2BF2
SCHEMBL8352865 0.88 ALK (0.44) HTR2BSYKJAK2JAK1TYK2
SCHEMBL8350743 0.86 HTR2B (0.43) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8351623 0.86 OGA (0.44) HTR2BSYKHRH4HRH3
SCHEMBL8550238 0.84 HTR2B (0.40) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8352433 0.82 HTR2B (0.42) F10ITGB3ITGA2BHTR2BF2
SCHEMBL8352321 0.81 HTR2B (0.44) F10ITGB3ITGA2BHTR2BF2
SCHEMBL8551028 0.78 HTR2B (0.41) HTR2BSYKJAK2JAK1TYK2

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