SCHEMBL17899786

SCHEMBL17899786

O/N=C/[C@@H]1C[C@H]1c1cccc2c1CCO2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.52
MTNR1B P49286 1/20 0.48
SLC9A5 Q14940 1/20 0.42
SLC9A2 Q9UBY0 1/20 0.42
DRD2 P14416 11/20 0.35
HTR2A P28223 11/20 0.35
DRD3 P35462 11/20 0.35
KIF11 P52732 1/20 0.32

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
SCHEMBL17894548 1.00 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL19699402 1.00 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL17894547 1.00 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL6679812 0.82 KDM4E (0.38) SLC9A1DRD2
SCHEMBL6679801 0.82 KDM4E (0.38) SLC9A1DRD2
SCHEMBL6679807 0.82 KDM4E (0.38) SLC9A1DRD2
SCHEMBL6682308 0.81 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL6678123 0.81 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL19699401 0.81 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL19699403 0.75 MTNR1B (0.64) SLC9A1MTNR1BSLC9A5SLC9A2DRD2

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-2016109359-A1 CYCLOPROPYL DIHYDROBENZOFURAN MODULATORS OF MELATONIN RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed