SCHEMBL6995372

SCHEMBL6995372

O=C(Nc1cc(-c2ccccc2Cl)[nH]n1)C1Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 1.00
ABL1 P00519 4/20 0.47
FOXO1 Q12778 1/20 0.46
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
P2RX7 Q99572 1/20 0.43

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
SCHEMBL6988507 0.87 NPY5R (0.77) NPY5RABL1FOXO1MAPTHPGD
SCHEMBL6998436 0.85 NPY5R (0.79) NPY5RMAPTSMN1; SMN2
SCHEMBL6992719 0.85 NPY5R (0.73) NPY5RFOXO1
SCHEMBL1119035 0.84 NPY5R (1.00) NPY5RMAPTSMN1; SMN2
SCHEMBL6994427 0.84 NPY5R (0.74) NPY5RMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL6992742 0.82 NPY5R (1.00) NPY5RMAPTSMN1; SMN2
SCHEMBL6990465 0.81 NPY5R (0.95) NPY5RMAPT
SCHEMBL6991924 0.81 NPY5R (0.88) NPY5RMAPT
SCHEMBL6993101 0.81 NPY5R (0.84) NPY5R
SCHEMBL6990411 0.80 NPY5R (0.70) NPY5RABL1FOXO1SMN1; SMN2

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