SCHEMBL4068461

SCHEMBL4068461

Fc1cc(F)cc(C2CC[CH]CC2)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.33
HCRTR2 O43614 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
GRM2 Q14416 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
GRIA4 P48058 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
SCHEMBL3157843 0.85 NPY5R (0.39) NPY5RHCRTR2CA12CA1CA9
SCHEMBL18284064 0.80 GRIA4 (0.39) NPY5RHCRTR2CA12CA1CA9
SCHEMBL4070065 0.79 HTR2C (0.42)
SCHEMBL127018 0.78 CYP11B2 (0.38) NPY5RHCRTR2GRIA4
SCHEMBL3682231 0.76 KDM1A (0.41)
SCHEMBL23933275 0.75 CA12 (0.33) CA12CA1CA9HCAR2
SCHEMBL14295821 0.75 CYP11B2 (0.39)
SCHEMBL18721989 0.74 ESR2 (0.47) NPY5RHCRTR2GRM2GRIA4
SCHEMBL21731693 0.74 ESR2 (0.48) NPY5RHCRTR2CA12CA1CA9
SCHEMBL28695098 0.74 NPY5R (0.35) NPY5RHCRTR2GRM2

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-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed