SCHEMBL9755214

SCHEMBL9755214

CCc1cccc(Nc2ccccn2)c1N1CCN(CCOC)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
DRD3 P35462 4/20 0.41
ADRA1A P35348 4/20 0.41
DRD2 P14416 4/20 0.41
HTR1A P08908 3/20 0.39
HTR2A P28223 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK10 P53779 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
ELANE P08246 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD4 P21917 1/20 0.38
ABCB1 P08183 1/20 0.38
EGFR P00533 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38

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
SCHEMBL7985498 0.71 MEN1 (0.66) MEN1MAPK10GFERKMT2A
SCHEMBL9640183 0.69 SIRT6 (0.47) ACHEDRD3DRD2HTR1AHTR2A
SCHEMBL9755216 0.68 ELANE (0.45) ACHEDRD3DRD2ELANEDRD4
Hydrochloric Acid SCHEMBL9639460 0.68 SIRT6 (0.46) ACHEDRD3DRD2HTR1AHTR2A
SCHEMBL27814282 0.65 HRH4 (0.56) ACHEMEN1MAPK10KMT2A
SCHEMBL20241784 0.64 ACHE (0.70) ACHEHTR1A
SCHEMBL13472617 0.63 DRD2 (0.61) DRD3DRD2HTR1AHTR2ADRD4
SCHEMBL7985486 0.63 MAPK10 (0.61) MEN1MAPK10GFERKMT2A
SCHEMBL27352770 0.63 DRD3 (0.61) DRD3ADRA1ADRD2HTR1AHTR2A
SCHEMBL30416768 0.62 SIRT6 (0.50) DRD2HTR1AHTR2AELANESIRT6

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-1991006542-A1 PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES THE UPJOHN COMPANY (US) 1991-05-16 WO claimed