SCHEMBL930832

SCHEMBL930832

CN(C)c1cc(C(=N)c2cccc(Cl)c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 15/20 0.43
GRM5 P41594 1/20 0.42
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 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
Hydrochloric Acid SCHEMBL28549220 0.74 PROKR1 (0.40) PROKR1
SCHEMBL827405 0.73 ALDH1A1 (0.41) PROKR1ALDH1A1GAAMAPT
SCHEMBL19672204 0.72 PROKR1 (0.39) PROKR1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL5743227 0.71 ALDH1A1 (0.40) PROKR1ALDH1A1GAAMAPT
SCHEMBL3836493 0.71 PARP1 (0.50) GRM5GAAMAPTHTTHTR3E
Hydrochloric Acid SCHEMBL22042746 0.71 PRSS1 (0.40) PROKR1
SCHEMBL1727183 0.70 PROKR1 (0.38) PROKR1
SCHEMBL28819044 0.69 PROKR1 (0.47) PROKR1GAAMAPT
SCHEMBL11099112 0.67 PROKR1 (0.46) PROKR1
SCHEMBL11340185 0.67 KDM4E (0.55) PROKR1ALDH1A1MAPT

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-2011002407-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed