SCHEMBL6995503

SCHEMBL6995503

C=Cc1cccc(-c2cc(NC(=O)C3Cc4ccccc4C3)n[nH]2)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 0.73
USP30 Q70CQ3 1/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
FOXO1 Q12778 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
SCHEMBL6999770 0.89 NPY5R (0.77) NPY5RUSP30NPC1RAB9AFOXO1
SCHEMBL6991924 0.87 NPY5R (0.88) NPY5RUSP30NPC1RAB9A
SCHEMBL6991126 0.84 NPY5R (0.78) NPY5RUSP30NPC1RAB9A
SCHEMBL6992697 0.84 NPY5R (0.79) NPY5RUSP30NPC1RAB9A
SCHEMBL6992742 0.84 NPY5R (1.00) NPY5RUSP30NPC1RAB9A
SCHEMBL6990465 0.83 NPY5R (0.95) NPY5RUSP30NPC1RAB9A
SCHEMBL6989342 0.81 NPY5R (0.73) NPY5RUSP30
SCHEMBL6997030 0.81 NPY5R (0.73) NPY5RUSP30NPC1RAB9AFOXO1
SCHEMBL6999633 0.81 NPY5R (0.82) NPY5R
SCHEMBL6999024 0.81 NPY5R (0.73) NPY5RUSP30NPC1RAB9A

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