SCHEMBL2270809

SCHEMBL2270809

CNc1ccc(C(=O)N(C)Cc2ccc3c(c2)CCN(C2CCC2)CC3)cn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.58
HRH1 P35367 1/20 0.44
ADRA1A P35348 2/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
MAP4K1 Q92918 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM2B Q8NHM5 1/20 0.39
HTR2C P28335 1/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL2269118 0.87 HRH3 (0.50) HRH3HRH1HTR2CKCNH2MCHR1
SCHEMBL1790863 0.84 PRKAB2 (0.56) HRH3HRH1ADRA1A
SCHEMBL1790797 0.83 HRH3 (0.55) HRH3HRH1MAPTMAPK1
SCHEMBL12418545 0.79 HRH3 (0.51) HRH3HRH1MAPTMAPK1KDM2B
SCHEMBL12418544 0.79 HRH3 (0.51) HRH3HRH1MAPTMAPK1KDM2B
SCHEMBL1787581 0.79 HRH3 (0.48) HRH3HRH1KDM2B
SCHEMBL2264905 0.77 HRH3 (0.49) HRH3HRH1HTR2CKCNH2MCHR1
SCHEMBL2194239 0.77 HRH3 (0.51) HRH3HRH1ADRA1AMAPTMAPK1
SCHEMBL2188621 0.77 HRH3 (0.51) HRH3HRH1ADRA1AMAPTMAPK1
SCHEMBL5661749 0.77 HRH3 (0.53) HRH3HRH1KDM2B

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
WO-2011083315-A1 COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 WO disclosed
WO-2011083315-A1 COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 WO disclosed