SCHEMBL5729804

SCHEMBL5729804

Cc1nc(NCCNC2CCCCC2)n2nc(C)c(-c3c(Cl)cc(C4=CCCC4)cc3Cl)c2n1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 10/20 0.52
CRHR1 P34998 5/20 0.35
RAB9A P51151 1/20 0.33
ACKR3 P25106 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL5730324 0.86 NPY1R (0.71) NPY1RCRHR1RAB9A
SCHEMBL7533319 0.86 NPY1R (0.39) NPY1RCRHR1
SCHEMBL5729288 0.85 NPY1R (0.73) NPY1RCRHR1RAB9A
SCHEMBL5729115 0.84 NPY1R (0.62) NPY1RCRHR1
SCHEMBL5729413 0.83 NPY1R (0.63) NPY1RCRHR1
SCHEMBL5730013 0.82 NPY1R (0.54) NPY1RCRHR1ACKR3SIGMAR1
SCHEMBL5730012 0.82 NPY1R (0.54) NPY1RCRHR1ACKR3SIGMAR1
SCHEMBL7533328 0.82 CRHR1 (0.39) NPY1RCRHR1
SCHEMBL5729895 0.80 NPY1R (0.70) NPY1RCRHR1RAB9AACKR3
SCHEMBL7545079 0.79 NPY1R (0.73) NPY1RCRHR1

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
EP-1218381-B1 AMINO SUBSTITUTED PYRAZOLO¬1,5-a|-1,5-PYRIMIDINES AND PYRAZOLO¬1,5-a|-1,3,5-TRIAZINES NEUROGEN CORP (US) 2006-12-06 EP claimed