SCHEMBL6583315

SCHEMBL6583315

COc1ccc(-c2cc(NC(=O)CCc3cccc4ccccc34)n[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.62
CHRNA3 P32297 3/20 0.55
KCNH2 Q12809 1/20 0.55
MTNR1A P48039 1/20 0.51
CSNK2A2 P19784 1/20 0.51
CSNK2A1 P68400 1/20 0.51

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
SCHEMBL6583002 0.84 NPY5R (0.65) NPY5RCHRNA3KCNH2CSNK2A2CSNK2A1
SCHEMBL6585287 0.78 NPY5R (0.71) NPY5R
SCHEMBL7930564 0.77 CSNK2A2 (0.65) NPY5RCHRNA3KCNH2CSNK2A2CSNK2A1
SCHEMBL13660049 0.77 CHRNA3 (0.71) NPY5RCHRNA3KCNH2CSNK2A2CSNK2A1
SCHEMBL6584650 0.76 NPY5R (1.00) NPY5R
SCHEMBL6584850 0.76 NPY5R (0.76) NPY5R
SCHEMBL4173930 0.76 CHRNA3 (0.70) NPY5RCHRNA3KCNH2CSNK2A2CSNK2A1
SCHEMBL1856137 0.76 CHRNA3 (0.70) NPY5RCHRNA3KCNH2CSNK2A2CSNK2A1
SCHEMBL6581866 0.75 NPY5R (0.78) NPY5R
SCHEMBL6583091 0.75 NPY5R (0.65) NPY5R

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-0945440-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-05-26 EP claimed
EP-0945440-A1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP claimed
EP-0945440-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-05-26 EP disclosed
US-6180653-B1 EATING DISORDERS; DIETETICS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-01-30 US disclosed
EP-0945440-A1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed