SCHEMBL5205947

SCHEMBL5205947

Nc1ncc(Oc2ccc(Cl)cc2)c(N2CCC(CCO)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
MAPK14 Q16539 1/20 0.36
DCK P27707 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
PDE10A Q9Y233 3/20 0.35
DHFR P00374 1/20 0.34
RPS6KB1 P23443 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR7 P34969 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 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
SCHEMBL5202842 0.92 PDE10A (0.40) HRH4FFAR4PDE10A
SCHEMBL7708038 0.86 MAP4K4 (0.41) IRAK4PIK3CAMTOR
SCHEMBL5209693 0.84 CNR2 (0.40) DCKTRPC6DHFR
SCHEMBL7716713 0.82 DHFR (0.39) HRH4PI4KBMAPK14DCKTRPC6
SCHEMBL5206837 0.80 FFAR1 (0.42) TRPC6
SCHEMBL7708442 0.79 LMNA (0.45) HRH4PI4KBDHFR
SCHEMBL7714582 0.79 LTA4H (0.39) TRPC6
SCHEMBL7708430 0.78 CYP3A4 (0.43) TRPC6
SCHEMBL8137579 0.76 MEN1 (0.38) PDE10APIK3CAMTOR
SCHEMBL5204163 0.75 ADORA3 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP claimed
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US claimed
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP disclosed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US disclosed