SCHEMBL7533328

SCHEMBL7533328

Cc1nc(NC(CN)C2CCCCC2)n2nc(C)c(-c3c(Cl)cc(C4=CCCC4)cc3Cl)c2n1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.39
NPY1R P25929 3/20 0.37

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
SCHEMBL7533319 0.85 NPY1R (0.39) CRHR1NPY1R
SCHEMBL5729804 0.82 NPY1R (0.52) CRHR1NPY1R
SCHEMBL5730324 0.72 NPY1R (0.71) CRHR1NPY1R
SCHEMBL5729288 0.71 NPY1R (0.73) CRHR1NPY1R
SCHEMBL7545079 0.67 NPY1R (0.73) CRHR1NPY1R
SCHEMBL5729115 0.66 NPY1R (0.62) CRHR1NPY1R
SCHEMBL7037740 0.66 NPY1R (0.42) CRHR1NPY1R
SCHEMBL5729413 0.65 NPY1R (0.63) CRHR1NPY1R
SCHEMBL5730013 0.65 NPY1R (0.54) CRHR1NPY1R
SCHEMBL5730012 0.65 NPY1R (0.54) CRHR1NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218381-A2 AMINO SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2002-07-03 EP claimed
WO-2001023388-A2 AMINO SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2001-04-05 WO claimed