SCHEMBL3388463

SCHEMBL3388463

O=CN1CCC(Cc2ccc(F)cc2)OC(C2CNc3cc(Cl)ccc3O2)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.33
ATF4 P18848 4/20 0.33
GHSR Q92847 1/20 0.33
FADS1 O60427 1/20 0.30

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
SCHEMBL3355815 0.71 CYP19A1 (0.36) ADAMTS5ATF4
SCHEMBL3354481 0.70 ATF4 (0.41) ADAMTS5ATF4
SCHEMBL3432233 0.70 GRIN1 (0.46)
SCHEMBL3354901 0.70 CYP19A1 (0.38) ADAMTS5ATF4
SCHEMBL3353721 0.68 DRD4 (0.39) ADAMTS5ATF4GHSR
SCHEMBL3355002 0.64 CCR1 (0.54)
SCHEMBL3355449 0.64 CCR1 (0.54)
SCHEMBL3352352 0.64 KDM4E (0.42)
SCHEMBL3354266 0.64 AIMP2 (0.49) ADAMTS5ATF4
SCHEMBL13308188 0.64 ATF4 (0.58) ADAMTS5ATF4

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
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO claimed