SCHEMBL6994427

SCHEMBL6994427

COc1ccccc1-c1cc(NC(=O)C2Cc3ccccc3C2)n[nH]1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 0.74
CHRNA3 P32297 1/20 0.53
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
CDK9 P50750 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MAPK14 Q16539 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
SCHEMBL6988507 0.85 NPY5R (0.77) NPY5RSMN1; SMN2
SCHEMBL6996005 0.85 NPY5R (1.00) NPY5RMEN1LMNAPKMMAPK1
SCHEMBL6995372 0.84 NPY5R (1.00) NPY5RHSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL7000363 0.83 NPY5R (1.00) NPY5RCHRNA3
SCHEMBL6992719 0.81 NPY5R (0.73) NPY5R
SCHEMBL7001040 0.81 NPY5R (0.80) NPY5RMEN1LMNAPKMMAPK1
SCHEMBL6999633 0.81 NPY5R (0.82) NPY5RGSK3AGSK3B
SCHEMBL6996063 0.79 NPY5R (0.87) NPY5RMEN1LMNAPKMMAPK1
SCHEMBL6992743 0.78 NPY5R (1.00) NPY5RMEN1KMT2A
SCHEMBL6992797 0.78 NPY5R (0.86) NPY5RMEN1LMNAPKMMAPK1

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