SCHEMBL4841571

SCHEMBL4841571

Cn1nnnc1-c1ccc2c(c1)Oc1ccccc1C2=C1CC2CCC(C1)N2C(=O)CF

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 11/20 0.34
HSD11B1 P28845 1/20 0.33
BRD4 O60885 4/20 0.33
SETD7 Q8WTS6 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
CASR P41180 1/20 0.32

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
SCHEMBL3963585 0.89 ABCC9 (0.37) CCR3HSD11B1SETD7WNT1GSK3B
SCHEMBL4778945 0.84 NPY5R (0.34) BRD4SETD7WNT1GSK3BDYRK1A
SCHEMBL3963810 0.79 SETD7 (0.38) CCR3HSD11B1SETD7
SCHEMBL3961355 0.73 BDKRB1 (0.36) SETD7
SCHEMBL4781352 0.73 TERT (0.33) SETD7
SCHEMBL3965157 0.71
SCHEMBL3965271 0.70 DPP4 (0.31)
SCHEMBL490182 0.68 OPRD1 (0.40)
SCHEMBL10235427 0.67 SETD7 (0.41) SETD7
SCHEMBL2628171 0.67 SETD7 (0.46) SETD7

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-1910353-A1 TRICYCLIC DELTA- OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-16 EP disclosed
WO-2007030089-A1 TRICYCLIC DELTA- OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-15 WO disclosed