SCHEMBL7960734

SCHEMBL7960734

Cn1c(COc2ccc(Cl)cc2)c(CCC(=O)O)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 7/20 0.65
EGFR P00533 2/20 0.53
FFAR1 O14842 5/20 0.47
FFAR4 Q5NUL3 4/20 0.47
BCL2 P10415 1/20 0.46
MCL1 Q07820 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS1 P23219 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1B1 P15121 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL27479054 0.92 NPY1R (0.61) NPY1REGFRFFAR1FFAR4BCL2
SCHEMBL7959769 0.89 NPY1R (0.62) NPY1REGFRBCL2MCL1KDM4E
SCHEMBL7963655 0.87 NPY1R (0.60) NPY1RBCL2MCL1KDM4EALOX15
SCHEMBL7963645 0.83 NPY1R (0.70) NPY1RBCL2MCL1KDM4EALOX15
SCHEMBL7958718 0.81 NPY1R (0.62) NPY1REGFRBCL2MCL1KDM4E
SCHEMBL7948979 0.81 NPY1R (0.67) NPY1RKDM4EALOX15TSHRTDP1
SCHEMBL7960758 0.80 NPY1R (0.57) NPY1RALDH1A1HPGD
SCHEMBL7958788 0.79 NPY1R (0.62) NPY1RBCL2MCL1KDM4EALOX15
SCHEMBL7956731 0.79 NPY1R (0.65) NPY1RKDM4EALOX15TSHRTDP1
SCHEMBL7959923 0.79 NPY1R (1.00) NPY1R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US disclosed
EP-0789688-A4 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-11-19 EP disclosed
EP-0789688-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-20 EP disclosed
WO-1997009308-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-03-13 WO disclosed