SCHEMBL6996416

SCHEMBL6996416

O=C(Nc1cc(-c2ccc(Br)cc2)[nH]n1)C1Cc2ccccc2C1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.82
USP30 Q70CQ3 1/20 0.49
BRAF P15056 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CHRNA3 P32297 1/20 0.47
ROCK1 Q13464 1/20 0.47

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
SCHEMBL6990465 0.90 NPY5R (0.95) NPY5RUSP30NPC1RAB9A
SCHEMBL6991126 0.88 NPY5R (0.78) NPY5RUSP30NPC1RAB9A
SCHEMBL1119035 0.88 NPY5R (1.00) NPY5RUSP30NPC1RAB9A
SCHEMBL6992743 0.88 NPY5R (1.00) NPY5RUSP30NPC1RAB9AROCK1
SCHEMBL6993101 0.87 NPY5R (0.84) NPY5RUSP30NPC1RAB9A
SCHEMBL7000363 0.86 NPY5R (1.00) NPY5RCHRNA3
SCHEMBL6999770 0.85 NPY5R (0.77) NPY5RUSP30NPC1RAB9AROCK1
SCHEMBL6998964 0.85 NPY5R (0.78) NPY5RUSP30NPC1RAB9A
SCHEMBL7000276 0.85 NPY5R (0.78) NPY5RUSP30NPC1RAB9AROCK1
SCHEMBL6998991 0.85 NPY5R (0.78) NPY5RUSP30NPC1RAB9AROCK1

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