SCHEMBL8355309

SCHEMBL8355309

O=C(O)C1CCN(C[C@H]2CN(C3CCN(c4ccncc4)CC3)C(=O)O2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.47
F10 P00742 9/20 0.44
F2 P00734 2/20 0.44
ITGB3 P05106 14/20 0.42
ITGA2B P08514 14/20 0.42
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
NOTUM Q6P988 1/20 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
SCHEMBL8355509 0.90 HTR7 (0.44) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8351621 0.89 HTR2B (0.45) HTR2BF10F2ITGB3ITGA2B
SCHEMBL8349140 0.89 HTR2B (0.43) HTR2BF10F2ITGB3ITGA2B
SCHEMBL8349498 0.88 F10 (0.41) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8351475 0.88 HTR2B (0.45) HTR2BITGB3ITGA2B
SCHEMBL8351619 0.88 F10 (0.41) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8593632 0.87 HTR2B (0.45) HTR2BF10ITGB3ITGA2B
SCHEMBL8552786 0.87 HTR2B (0.45) HTR2BF10ITGB3ITGA2B
SCHEMBL8349249 0.87 F10 (0.40) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8352321 0.86 HTR2B (0.44) HTR2BF10F2ITGB3ITGA2B

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