SCHEMBL27871504

SCHEMBL27871504

O=CN[C@@H]1C[C@@H]1c1cccc2c1CCO2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.51
SLC9A1 P19634 6/20 0.49
DRD2 P14416 13/20 0.48
HTR2A P28223 13/20 0.48
DRD3 P35462 13/20 0.48
SLC9A5 Q14940 1/20 0.39
SLC9A2 Q9UBY0 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
SCHEMBL7699484 0.81 MTNR1B (0.54) MTNR1BSLC9A1DRD2HTR2ADRD3
SCHEMBL7697047 0.81 MTNR1B (0.54) MTNR1BSLC9A1DRD2HTR2ADRD3
SCHEMBL28140958 0.81 MTNR1B (0.54) MTNR1BSLC9A1DRD2HTR2ADRD3
SCHEMBL6682308 0.78 SLC9A1 (0.52) MTNR1BSLC9A1DRD2HTR2ADRD3
SCHEMBL19699401 0.78 SLC9A1 (0.52) MTNR1BSLC9A1DRD2HTR2ADRD3
SCHEMBL6678123 0.78 SLC9A1 (0.52) MTNR1BSLC9A1DRD2HTR2ADRD3
SCHEMBL8489071 0.77 SLC9A1 (0.53) MTNR1BSLC9A1DRD2HTR2ADRD3
SCHEMBL8489075 0.74 MTNR1B (0.56) MTNR1BSLC9A1DRD2HTR2ADRD3
SCHEMBL19706381 0.72 MTNR1B (0.64) MTNR1BSLC9A1DRD2HTR2ADRD3
SCHEMBL6680857 0.72 MTNR1B (0.64) MTNR1BSLC9A1DRD2HTR2ADRD3

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
CN-102675268-A Method for preparing (1R,2R)-2-(2,3-dihydrobenzofuran-4-yl) cyclopropanemethylamine JINAN ZHIHE MEDICAL TECHNOLOGY CO LTD 2012-09-19 CN disclosed