SCHEMBL6586725

SCHEMBL6586725

Cc1ccc(-c2cc(NC(=O)Cc3cccc4ccccc34)n[nH]2)cn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.71
CCNA2 P20248 1/20 0.57
CDK2 P24941 1/20 0.57
CCNA1 P78396 1/20 0.57
ALDH1A1 P00352 3/20 0.47
MAPK8 P45983 3/20 0.47
MAPK9 P45984 3/20 0.47
MAPK10 P53779 3/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL6584650 0.83 NPY5R (1.00) NPY5RCCNA2CDK2CCNA1ALDH1A1
SCHEMBL6584850 0.83 NPY5R (0.76) NPY5RCCNA2CDK2CCNA1MAPK8
SCHEMBL6586717 0.83 NPY5R (0.71) NPY5RCCNA2CDK2CCNA1MAPK8
SCHEMBL6584833 0.82 NPY5R (0.66) NPY5RCCNA2CDK2CCNA1ALDH1A1
SCHEMBL6581866 0.82 NPY5R (0.78) NPY5RCCNA2CDK2CCNA1ALDH1A1
SCHEMBL6584962 0.82 NPY5R (0.63) NPY5RCCNA2CDK2CCNA1ALDH1A1
SCHEMBL6585287 0.81 NPY5R (0.71) NPY5RCCNA2CDK2CCNA1MAPK8
SCHEMBL6582913 0.80 NPY5R (0.66) NPY5RCCNA2CDK2CCNA1ALDH1A1
SCHEMBL6584303 0.80 NPY5R (0.68) NPY5RCCNA2CDK2CCNA1ALDH1A1
SCHEMBL6585000 0.78 NPY5R (0.65) NPY5RCCNA2CDK2CCNA1ALDH1A1

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