SCHEMBL6583084

SCHEMBL6583084

COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)cc1N(C)C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.81
FOXO1 Q12778 1/20 0.52
CCNB2 O95067 1/20 0.51
CCNE2 O96020 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CCNA1 P78396 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
RIOK2 Q9BVS4 3/20 0.50
GSK3A P49840 2/20 0.50
MAPK10 P53779 2/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK8 P45983 1/20 0.45
HIPK1 Q86Z02 1/20 0.45

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
SCHEMBL6585282 0.90 NPY5R (1.00) NPY5RFOXO1CCNB2CCNE2CDK1
SCHEMBL6583091 0.85 NPY5R (0.65) NPY5RFOXO1CCNA2CDK2CCNA1
SCHEMBL6584847 0.84 NPY5R (0.76) NPY5RCCNB2CCNE2CDK1CCNB1
SCHEMBL6584646 0.78 NPY5R (1.00) NPY5RCCNB2CCNE2CDK1CCNB1
SCHEMBL6581862 0.77 NPY5R (0.78) NPY5RCCNB2CCNE2CDK1CCNB1
SCHEMBL6586717 0.77 NPY5R (0.71) NPY5RCCNB2CCNE2CDK1CCNB1
SCHEMBL6583002 0.75 NPY5R (0.65) NPY5R
SCHEMBL7001040 0.75 NPY5R (0.80) NPY5RMEN1KMT2ALMNAPKM
SCHEMBL7892694 0.74 NPY5R (0.46) NPY5RRIOK2GSK3AMAPK10MEN1
SCHEMBL6582907 0.74 NPY5R (0.67) NPY5RFOXO1CCNB2CCNE2CDK1

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