SCHEMBL6990465

SCHEMBL6990465

O=C(Nc1cc(-c2ccc(-c3ccccc3)cc2)[nH]n1)C1Cc2ccccc2C1

nearest known ligand 0.95

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 14/20 0.95
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
USP30 Q70CQ3 1/20 0.56
ALPL P05186 1/20 0.53
ALPI P09923 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL6991924 0.94 NPY5R (0.88) NPY5RNPC1RAB9AUSP30ALPL
SCHEMBL1119035 0.90 NPY5R (1.00) NPY5RNPC1RAB9AUSP30MAPT
SCHEMBL6992743 0.90 NPY5R (1.00) NPY5RNPC1RAB9AUSP30
SCHEMBL6996416 0.90 NPY5R (0.82) NPY5RNPC1RAB9AUSP30
SCHEMBL6993101 0.89 NPY5R (0.84) NPY5RNPC1RAB9AUSP30ALPL
SCHEMBL7000363 0.88 NPY5R (1.00) NPY5R
SCHEMBL6996444 0.88 NPY5R (0.86) NPY5RUSP30
SCHEMBL6998964 0.87 NPY5R (0.78) NPY5RNPC1RAB9AUSP30
SCHEMBL7000276 0.87 NPY5R (0.78) NPY5RNPC1RAB9AUSP30
SCHEMBL6999770 0.87 NPY5R (0.77) NPY5RNPC1RAB9AUSP30

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