SCHEMBL8349249

SCHEMBL8349249

O=C(O)C1CCN(CCCCCC2CN(C3CCN(c4ccncc4)CC3)C(=O)O2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.40
F2 P00734 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
ITGB3 P05106 13/20 0.39
ITGA2B P08514 13/20 0.39
DRD4 P21917 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.38
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
CCR8 P51685 1/20 0.37

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
SCHEMBL8351619 0.99 F10 (0.41) F10F2HRH3ITGB3ITGA2B
SCHEMBL8349498 0.96 F10 (0.41) F10F2HRH3ITGB3ITGA2B
SCHEMBL8355509 0.93 HTR7 (0.44) F10F2ITGB3ITGA2BHTR7
SCHEMBL8356727 0.89
SCHEMBL8356652 0.88 ITGB3 (0.41) HRH3ITGB3ITGA2BDRD4SLC6A4
SCHEMBL8355309 0.87 HTR2B (0.47) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8355523 0.86 ITGB3 (0.44) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8351958 0.86 F10 (0.42) F10F2HRH3ITGB3ITGA2B
SCHEMBL8352588 0.85 ITGB3 (0.39) HRH3ITGB3ITGA2BDRD4SLC6A4
SCHEMBL8356627 0.83 GRM2 (0.34) F10F2HRH3ITGB3ITGA2B

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