SCHEMBL6996409

SCHEMBL6996409

COc1ccc(-c2cc(NC(=O)C3Cc4c(n(C)c5ccccc45)C3)n[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.68
CHRNA3 P32297 2/20 0.49
KCNH2 Q12809 1/20 0.49
CSNK2A2 P19784 1/20 0.46
CSNK2A1 P68400 1/20 0.46

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
SCHEMBL6994290 0.84 NPY5R (0.63) NPY5R
SCHEMBL7000363 0.82 NPY5R (1.00) NPY5RCHRNA3KCNH2CSNK2A2CSNK2A1
SCHEMBL6996444 0.78 NPY5R (0.86) NPY5RCHRNA3KCNH2CSNK2A2CSNK2A1
SCHEMBL6990826 0.78 NPY5R (0.78) NPY5RCSNK2A2CSNK2A1
SCHEMBL6990690 0.77 NPY5R (0.78) NPY5RCHRNA3KCNH2CSNK2A2CSNK2A1
SCHEMBL6993059 0.76 NPY5R (0.80) NPY5RCHRNA3KCNH2CSNK2A2CSNK2A1
SCHEMBL6967662 0.75 NPY5R (0.71) NPY5RCHRNA3KCNH2CSNK2A2CSNK2A1
SCHEMBL6992241 0.74 NPY5R (0.72) NPY5RCHRNA3KCNH2CSNK2A2CSNK2A1
SCHEMBL6997112 0.74 NPY5R (0.78) NPY5RCHRNA3KCNH2CSNK2A2CSNK2A1
SCHEMBL6996984 0.74 NPY5R (0.79) NPY5RCHRNA3KCNH2CSNK2A2CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945438-B1 PYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-05 EP claimed
EP-0945438-A1 PYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP claimed
EP-0945438-B1 PYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-05 EP disclosed
US-6057335-A Pyrazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-05-02 US disclosed
EP-0945438-A1 PYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed