Sugi Predict

Sugi Predict / Compounds / SCHEMBL7963164

SCHEMBL7963164

SCHEMBL7963164

Cn1c(COc2ccc(Cl)cc2)c(C(=O)C(=O)N2CCC(N3CCCCC3)CC2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 12/20 1.00
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.45
▸ ACHE P22303 1/20 0.44
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL7959050 0.93 NPY1R (0.87) NPY1RSMN1; SMN2HRH3KMT2A
SCHEMBL7957128 0.91 NPY1R (0.84) NPY1RSMN1; SMN2HRH3ACHE
SCHEMBL7956905 0.91 NPY1R (0.83) NPY1RKMT2A
SCHEMBL7959587 0.89 NPY1R (0.80) NPY1RSMN1; SMN2HRH3ACHE
SCHEMBL7949187 0.88 NPY1R (0.79) NPY1RSMN1; SMN2HRH3KMT2A
SCHEMBL7963329 0.86 NPY1R (1.00) NPY1RSMN1; SMN2HRH3
SCHEMBL7963219 0.86 NPY1R (0.75) NPY1RSMN1; SMN2KMT2A
SCHEMBL7956724 0.86 NPY1R (0.75) NPY1RKMT2A
Hydrochloric Acid SCHEMBL7959234 0.85 NPY1R (0.98) NPY1RSMN1; SMN2HRH3
SCHEMBL7959104 0.84 NPY1R (0.73) NPY1RSMN1; SMN2KMT2A

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