SCHEMBL6992676

SCHEMBL6992676

O=C(Nc1cc(-c2ccncc2)[nH]n1)C1Cc2ccc3ccccc3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 16/20 1.00
USP30 Q70CQ3 1/20 0.43
FOXO1 Q12778 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL6998923 0.88 NPY5R (0.80) NPY5R
SCHEMBL6991821 0.87 NPY5R (0.76) NPY5RUSP30FOXO1
SCHEMBL6994138 0.86 NPY5R (1.00) NPY5R
SCHEMBL6993101 0.85 NPY5R (0.84) NPY5RUSP30
SCHEMBL6994136 0.85 NPY5R (0.89) NPY5R
SCHEMBL6996863 0.84 NPY5R (1.00) NPY5R
SCHEMBL6994084 0.84 NPY5R (0.86) NPY5R
SCHEMBL6992792 0.82 NPY5R (0.71) NPY5RUSP30
SCHEMBL6992705 0.79 NPY5R (0.67) NPY5RUSP30
SCHEMBL6992423 0.78 NPY5R (0.68) NPY5RUSP30

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