SCHEMBL8893023

SCHEMBL8893023

CN(C)c1nc(NCCCCCCN)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.51
NPY1R P25929 1/20 0.51
ADRA2A P08913 2/20 0.48
ACHE P22303 5/20 0.47
MCHR1 Q99705 3/20 0.47
KDM1A O60341 1/20 0.44
RCOR1 Q9UKL0 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
SCHEMBL8893012 0.85 ADRA2A (0.47) NPY5RADRA2AMCHR1
SCHEMBL8893524 0.81 NPY5R (0.70) NPY5RNPY1RACHE
SCHEMBL6039582 0.81 NPY5R (0.70) NPY5RNPY1RACHE
SCHEMBL8892545 0.81 NPY5R (0.70) NPY5RNPY1RACHE
SCHEMBL13413775 0.81 TUBB3 (0.63)
SCHEMBL8890399 0.80 CASP6 (0.52) NPY5RNPY1RACHE
Hydrochloric Acid SCHEMBL8892586 0.80 NPY5R (0.68) NPY5RNPY1RACHE
SCHEMBL30454981 0.79 BCHE (0.56) NPY5RADRA2AACHEMCHR1
Hydrochloric Acid SCHEMBL3938441 0.76 APP (0.53) NPY5RADRA2AACHE
SCHEMBL8890767 0.76 POLB (0.61) NPY5RNPY1RACHE

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
WO-1997020821-A1 HETEROARYL DERIVATIVES NOVARTIS AG (CH) 1997-06-12 WO disclosed