SCHEMBL7001040

SCHEMBL7001040

COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)n[nH]2)cc1N(C)C

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.80
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
FLT3 P36888 2/20 0.45
NTRK3 Q16288 1/20 0.45
NTRK2 Q16620 1/20 0.45
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41
ROCK1 Q13464 1/20 0.40

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
SCHEMBL6996005 0.89 NPY5R (1.00) NPY5RMEN1LMNAPKMMAPK1
SCHEMBL7000363 0.84 NPY5R (1.00) NPY5RCSNK2A2CSNK2A1
SCHEMBL6996063 0.83 NPY5R (0.87) NPY5RMEN1LMNAPKMMAPK1
SCHEMBL7000276 0.83 NPY5R (0.78) NPY5RROCK1
SCHEMBL6992797 0.82 NPY5R (0.86) NPY5RMEN1LMNAPKMMAPK1
SCHEMBL6999633 0.81 NPY5R (0.82) NPY5RROCK1
SCHEMBL6997030 0.81 NPY5R (0.73) NPY5RFLT3
SCHEMBL6994427 0.81 NPY5R (0.74) NPY5RMEN1LMNAPKMMAPK1
SCHEMBL6992743 0.79 NPY5R (1.00) NPY5RMEN1KMT2AROCK1
SCHEMBL6990465 0.79 NPY5R (0.95) 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-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