SCHEMBL2957074

SCHEMBL2957074

COc1cc(C2CN(CC(C)=O)CCO2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.49
ALDH1A1 P00352 1/20 0.38
HTR4 Q13639 4/20 0.38
CHEK1 O14757 1/20 0.38
QDPR P09417 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR1D P28221 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR2B P41595 1/20 0.37
HTR3A P46098 1/20 0.37

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
SCHEMBL4779850 0.85 DRD3 (0.55) DRD3ALDH1A1CHEK1
SCHEMBL2952074 0.83 MEN1 (0.42) DRD3ALDH1A1ADRA2CADRA1B
SCHEMBL3345717 0.81 DRD3 (0.51) DRD3HTR4CHEK1CHRM4CHRM5
SCHEMBL3345708 0.80 DRD3 (0.44) DRD3HTR4QDPR
SCHEMBL520283 0.74 PDE4B (0.51) QDPR
SCHEMBL28829545 0.74 DRD3 (0.53) DRD3
SCHEMBL28071280 0.74 DRD3 (0.53) DRD3HTR2B
SCHEMBL28050491 0.74 DRD3 (0.53) DRD3
SCHEMBL28071470 0.74 DRD3 (0.53) DRD3HTR2B
SCHEMBL28071433 0.74 DRD3 (0.53) DRD3

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed