SCHEMBL7962595

SCHEMBL7962595

COC(=O)c1ccc2nc(COc3ccc(Cl)cc3)n(CCCC3CCN(C(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 18/20 0.51
GPR119 Q8TDV5 1/20 0.46
CHEK2 O96017 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
SCHEMBL7691391 0.94 NPY1R (0.51) NPY1RGPR119
SCHEMBL7692619 0.87 NPY1R (0.68) NPY1R
SCHEMBL7682969 0.86 NPY1R (0.68) NPY1R
SCHEMBL7691200 0.85 NPY1R (0.55) NPY1R
SCHEMBL7682793 0.84 NPY1R (0.49) NPY1RCHEK2
SCHEMBL7690254 0.83 NPY1R (0.61) NPY1R
SCHEMBL7692013 0.82 NPY1R (0.51) NPY1R
SCHEMBL7685618 0.80 NPY1R (0.68) NPY1R
SCHEMBL7686375 0.80 NPY1R (0.50) NPY1R
SCHEMBL7959380 0.80 NPY1R (0.51) NPY1RGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255494-B1 SUBSTITUTED BENZIMIDAZOLES USEFUL IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH EXCESS OF NEUROPEPTIDE Y (AROUND ARTERIES IN HEART, RESPIRATORY TRACT, GASTROINTESTINAL TRACT AND GENITOURINARY TRACT); ETIOLOGY OF PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY 2001-07-03 US disclosed