SCHEMBL5202858

SCHEMBL5202858

CCOC(=O)C(C)(CC)NC(=O)c1c(Cl)cc2ccccc2c1OCC1CCN(C(C)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.38
F10 P00742 1/20 0.38
PRSS2 P07478 1/20 0.38
CNR2 P34972 7/20 0.36
CNR1 P21554 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
MCL1 Q07820 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL485165 0.85 F2 (0.39) F2F10PRSS2CNR2CNR1
SCHEMBL485530 0.77 KDM4E (0.42) HDAC1
SCHEMBL5202868 0.76 SLC6A2 (0.37)
SCHEMBL485271 0.76 KDM4E (0.40) F2F10PRSS2CNR2IRAK4
SCHEMBL485649 0.75 HRH3 (0.41) CNR2CNR1
SCHEMBL485131 0.73 CHRM1 (0.36) CNR2CNR1
SCHEMBL485204 0.69 KDM4E (0.40) F2F10PRSS2CNR2
SCHEMBL485329 0.68 KDM4E (0.39) F2F10PRSS2CNR2
SCHEMBL485213 0.68 KDM4E (0.39) F2CNR2CNR1
SCHEMBL485583 0.66 HRH3 (0.43) CNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836158-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION Sanofi-Aventis Deutschland GmbH (DE) 2007-09-26 EP disclosed
WO-2006069656-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 WO disclosed