SCHEMBL6996005

SCHEMBL6996005

COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)n[nH]2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 1.00
FLT3 P36888 2/20 0.55
NTRK3 Q16288 1/20 0.55
NTRK2 Q16620 1/20 0.55
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
AAK1 Q2M2I8 1/20 0.46
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 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
SCHEMBL6996063 0.93 NPY5R (0.87) NPY5RFLT3NTRK3NTRK2MEN1
SCHEMBL6992797 0.93 NPY5R (0.86) NPY5RFLT3NTRK3NTRK2MEN1
SCHEMBL7001040 0.89 NPY5R (0.80) NPY5RFLT3NTRK3NTRK2MEN1
SCHEMBL7000363 0.88 NPY5R (1.00) NPY5R
SCHEMBL6996863 0.88 NPY5R (1.00) NPY5RFLT3NTRK3NTRK2MEN1
SCHEMBL6988738 0.87 NPY5R (0.76) NPY5RFLT3NTRK3NTRK2MEN1
SCHEMBL6999633 0.85 NPY5R (0.82) NPY5R
SCHEMBL6994427 0.85 NPY5R (0.74) NPY5RMEN1LMNAPKMMAPK1
SCHEMBL6992743 0.83 NPY5R (1.00) NPY5RMEN1KMT2A
SCHEMBL6990465 0.83 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