SCHEMBL11558985

SCHEMBL11558985

c1ccc2c(c1)OCC1CNCN21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
ADRA1B P35368 2/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 2/20 0.35
NOTUM Q6P988 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2A P28223 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL5532469 0.84 HTR2C (0.54) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL6425272 0.83 HTR2C (0.52) HTR2CHTR2BHTR2A
SCHEMBL19137413 0.77 ADRA1B (0.42) SMN1; SMN2ADRA1BLMNAALDH1A1NOTUM
SCHEMBL27240579 0.74 SMN1; SMN2 (0.38) SMN1; SMN2HTR2CHTR2BLMNAALDH1A1
SCHEMBL23911866 0.72 NOTUM (0.40) SMN1; SMN2ADRA1BLMNAALDH1A1NOTUM
SCHEMBL7537388 0.71 MEN1 (0.49) SMN1; SMN2HTR2CHTR2BADRA1BALDH1A1
SCHEMBL22270895 0.71 AAK1 (0.42) SMN1; SMN2ADRA1BLMNAGAAHTT
SCHEMBL693081 0.69 HTR2C (0.58) HTR2CHTR2BHTR2A
SCHEMBL2018190 0.69 HTR2C (0.58) HTR2CHTR2BHTR2A
SCHEMBL692326 0.69 HTR2C (0.58) HTR2CHTR2BHTR2A

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
US-4134974-A Imidazo[5,1-c][1,4]benzoxazin-1-one CARLO ERBA S. P. A. (IT) 1979-01-16 US disclosed