SCHEMBL6584499

SCHEMBL6584499

COc1ccc(-c2cc(NC(=O)C(C)c3ccc4ccccc4c3)n[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.56
RIOK2 Q9BVS4 4/20 0.54
CSNK2A2 P19784 1/20 0.53
CSNK2A1 P68400 1/20 0.53
GSK3A P49840 2/20 0.52
MAPK10 P53779 2/20 0.52
HPGDS O60760 1/20 0.51
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
CHRNA3 P32297 1/20 0.46
KCNH2 Q12809 1/20 0.46
TNIK Q9UKE5 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
SCHEMBL6583002 0.78 NPY5R (0.65) NPY5RCSNK2A2CSNK2A1CHRNA3KCNH2
SCHEMBL6581999 0.78 CSNK2A2 (0.57) NPY5RCSNK2A2CSNK2A1HPGDSCHRNA3
SCHEMBL5867477 0.75 CCNA2 (0.77)
SCHEMBL5867914 0.75 CCNA2 (0.66) RIOK2HPGDS
SCHEMBL27575978 0.75 CCNA2 (0.66) RIOK2HPGDS
SCHEMBL7930564 0.75 CSNK2A2 (0.65) NPY5RCSNK2A2CSNK2A1CHRNA3KCNH2
SCHEMBL6960853 0.74 CSNK2A2 (0.64) NPY5RCSNK2A2CSNK2A1HPGDSCHRNA3
SCHEMBL1666395 0.74 CSNK2A2 (0.90) NPY5RCSNK2A2CSNK2A1HPGDSCHRNA3
SCHEMBL6584820 0.73 LMNA (0.55) NPY5R
SCHEMBL6583315 0.73 NPY5R (0.62) NPY5RCSNK2A2CSNK2A1CHRNA3KCNH2

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 6 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
US-6180653-B1 EATING DISORDERS; DIETETICS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-01-30 US 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