SCHEMBL8300007

SCHEMBL8300007

O=C(O)COCC1(O)CCC(N2CCN(Oc3ccnnc3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31

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
SCHEMBL8303601 0.76 HRH3 (0.44) ITGB3ITGA2B
SCHEMBL8617194 0.76 CCR2 (0.32) KDM4E
SCHEMBL8306140 0.71 KDM4E (0.39) KDM4EITGB3ITGA2B
SCHEMBL8304068 0.67 CYP2D6 (0.39) ITGB3ITGA2B
SCHEMBL8305336 0.65 KDM4E (0.43) KDM4EITGB3ITGA2B
SCHEMBL8300039 0.63 ITGB3 (0.40) HSD11B1ITGB3ITGA2B
SCHEMBL8304874 0.62 FFAR4 (0.41)
SCHEMBL8301158 0.62 CCR2 (0.35)
SCHEMBL8300260 0.62 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL20322919 0.61 ALOX15 (0.53)

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-0808306-B1 NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 1999-08-04 EP disclosed