SCHEMBL6991821

SCHEMBL6991821

O=C(Nc1cc(-c2ccncc2)[nH]n1)C1Cc2cc3ccccc3cc2C1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 0.76
USP30 Q70CQ3 1/20 0.48
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
FOXO1 Q12778 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL6993101 0.92 NPY5R (0.84) NPY5RUSP30ALPLALPINPC1
SCHEMBL6992705 0.87 NPY5R (0.67) NPY5RUSP30NPC1RAB9A
SCHEMBL6992676 0.87 NPY5R (1.00) NPY5RUSP30FOXO1
SCHEMBL6992423 0.84 NPY5R (0.68) NPY5RUSP30NPC1RAB9A
SCHEMBL6994443 0.84 NPY5R (0.79) NPY5RUSP30FOXO1GSK3B
SCHEMBL6993088 0.83 NPY5R (0.76) NPY5RUSP30FOXO1GSK3B
SCHEMBL6992792 0.82 NPY5R (0.71) NPY5RUSP30ALPLALPINPC1
SCHEMBL6990465 0.81 NPY5R (0.95) NPY5RUSP30ALPLALPINPC1
SCHEMBL6992797 0.81 NPY5R (0.86) NPY5R
SCHEMBL6994126 0.80 NPY5R (0.72) NPY5RGSK3B

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