SCHEMBL6997112

SCHEMBL6997112

COc1ccc(-c2cc(NC(=O)C3Cc4ccc(C(=O)c5ccccc5)cc4C3)n[nH]2)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 0.78
CSNK2A2 P19784 1/20 0.56
CSNK2A1 P68400 1/20 0.56
HPGDS O60760 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CHRNA3 P32297 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL6996444 0.89 NPY5R (0.86) NPY5RCSNK2A2CSNK2A1HPGDSMEN1
SCHEMBL7000363 0.88 NPY5R (1.00) NPY5RCSNK2A2CSNK2A1CHRNA3KCNH2
SCHEMBL6992423 0.88 NPY5R (0.68) NPY5RNPC1RAB9A
SCHEMBL6996984 0.84 NPY5R (0.79) NPY5RCSNK2A2CSNK2A1CHRNA3KCNH2
SCHEMBL6991250 0.84 NPY5R (0.79) NPY5RCSNK2A2CSNK2A1NPC1RAB9A
SCHEMBL6993059 0.82 NPY5R (0.80) NPY5RCSNK2A2CSNK2A1CHRNA3KCNH2
SCHEMBL6993517 0.80 NPY5R (0.73) NPY5RCSNK2A2CSNK2A1CHRNA3KCNH2
SCHEMBL6990826 0.80 NPY5R (0.78) NPY5RCSNK2A2CSNK2A1HPGDSMEN1
SCHEMBL6990465 0.80 NPY5R (0.95) NPY5RNPC1RAB9A
SCHEMBL6999633 0.79 NPY5R (0.82) NPY5RKCNH2

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