SCHEMBL6994290

SCHEMBL6994290

COc1ccc(-c2cc(NC(=O)C3CCc4c(n(C)c5ccccc45)C3)n[nH]2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 0.63
FLT3 P36888 2/20 0.48
NTRK3 Q16288 1/20 0.48
NTRK2 Q16620 1/20 0.48
ACHE P22303 1/20 0.44
AAK1 Q2M2I8 2/20 0.42
STK17B O94768 1/20 0.42
MAPT P10636 1/20 0.39
GAK O14976 1/20 0.39

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
SCHEMBL6996409 0.84 NPY5R (0.68) NPY5R
SCHEMBL6999159 0.82 NPY5R (0.65) NPY5RFLT3NTRK3NTRK2AAK1
SCHEMBL6992731 0.81 NPY5R (0.64) NPY5RFLT3NTRK3NTRK2AAK1
SCHEMBL6999783 0.81 NPY5R (0.64) NPY5RFLT3NTRK3NTRK2AAK1
SCHEMBL6996063 0.81 NPY5R (0.87) NPY5RFLT3NTRK3NTRK2AAK1
SCHEMBL6996005 0.78 NPY5R (1.00) NPY5RFLT3NTRK3NTRK2AAK1
SCHEMBL6996863 0.76 NPY5R (1.00) NPY5RFLT3NTRK3NTRK2AAK1
SCHEMBL6992797 0.75 NPY5R (0.86) NPY5RFLT3NTRK3NTRK2AAK1
SCHEMBL6998167 0.75 NPY5R (0.67) NPY5RFLT3NTRK3NTRK2AAK1
SCHEMBL6988738 0.72 NPY5R (0.76) NPY5RFLT3NTRK3NTRK2MAPT

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