SCHEMBL7963655

SCHEMBL7963655

CCOC(=O)CCc1c(COc2ccc(Cl)cc2)n(C)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 8/20 0.60
L3MBTL1 Q9Y468 2/20 0.44
TNF P01375 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CXCR3 P49682 1/20 0.43
BCL2 P10415 1/20 0.43
MCL1 Q07820 1/20 0.43
ELANE P08246 1/20 0.41
CREBBP Q92793 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7959769 0.89 NPY1R (0.62) NPY1RL3MBTL1BCL2MCL1TDP1
SCHEMBL7960734 0.87 NPY1R (0.65) NPY1RL3MBTL1BCL2MCL1TDP1
SCHEMBL27479054 0.84 NPY1R (0.61) NPY1RL3MBTL1BCL2MCL1TDP1
SCHEMBL7948980 0.82 NPY1R (0.54) NPY1RL3MBTL1SMN1; SMN2BCL2MCL1
SCHEMBL7959915 0.80 NPY1R (0.52) NPY1RL3MBTL1SMN1; SMN2BCL2MCL1
SCHEMBL7959920 0.80 NPY1R (0.52) NPY1RL3MBTL1SMN1; SMN2BCL2MCL1
SCHEMBL7963645 0.80 NPY1R (0.70) NPY1RL3MBTL1SMN1; SMN2BCL2MCL1
SCHEMBL7948979 0.77 NPY1R (0.67) NPY1RL3MBTL1SMN1; SMN2LMNATDP1
SCHEMBL7949130 0.77 NPY1R (0.49) NPY1RL3MBTL1SMN1; SMN2BCL2MCL1
SCHEMBL7959662 0.77 NPY1R (0.49) NPY1RL3MBTL1SMN1; SMN2BCL2MCL1

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