SCHEMBL5730012

SCHEMBL5730012

C/C=C\c1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCCCC4)nc(C)nc23)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 10/20 0.54
CRHR1 P34998 6/20 0.36
ACKR3 P25106 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL5730013 1.00 NPY1R (0.54) NPY1RCRHR1ACKR3SIGMAR1
SCHEMBL5729115 0.85 NPY1R (0.62) NPY1RCRHR1
SCHEMBL5729413 0.84 NPY1R (0.63) NPY1RCRHR1
SCHEMBL5729804 0.82 NPY1R (0.52) NPY1RCRHR1ACKR3SIGMAR1
SCHEMBL5729895 0.81 NPY1R (0.70) NPY1RCRHR1ACKR3
SCHEMBL5729037 0.80 NPY1R (0.71) NPY1RCRHR1ACKR3
SCHEMBL7043662 0.76 NPY1R (0.76) NPY1RCRHR1
SCHEMBL7044305 0.75 NPY1R (0.60) NPY1RCRHR1
SCHEMBL5728933 0.71 NPY1R (0.83) NPY1RCRHR1
SCHEMBL5729654 0.70 NPY1R (0.78) 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 3 patents. 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
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