SCHEMBL6989342

SCHEMBL6989342

O=C(Nc1cc(-c2cccc(C(F)(F)F)c2)[nH]n1)C1Cc2ccccc2C1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 0.73
SLC5A1 P13866 4/20 0.47
USP30 Q70CQ3 1/20 0.46
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 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
SCHEMBL6997792 0.89 NPY5R (0.77) NPY5RUSP30
SCHEMBL6991924 0.87 NPY5R (0.88) NPY5RUSP30
SCHEMBL6992742 0.84 NPY5R (1.00) NPY5RSLC5A1USP30
SCHEMBL6992697 0.84 NPY5R (0.79) NPY5RSLC5A1USP30CCNA2CDK2
SCHEMBL6991126 0.84 NPY5R (0.78) NPY5RUSP30CDK2
SCHEMBL6990465 0.83 NPY5R (0.95) NPY5RUSP30
SCHEMBL6997030 0.81 NPY5R (0.73) NPY5RUSP30
SCHEMBL6999024 0.81 NPY5R (0.73) NPY5RSLC5A1USP30
SCHEMBL6995503 0.81 NPY5R (0.73) NPY5RUSP30
SCHEMBL6999633 0.81 NPY5R (0.82) NPY5RCDK2

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