SCHEMBL8029939

SCHEMBL8029939

NC(=O)C1CCc2cccc(OC(=O)C(F)(F)F)c2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.43
MTNR1B P49286 7/20 0.43
EPHX2 P34913 1/20 0.42
DRD2 P14416 2/20 0.39
HTR1D P28221 2/20 0.39
DRD3 P35462 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 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
SCHEMBL18231450 0.81 MTNR1A (0.61) MTNR1AMTNR1BEPHX2DRD2DRD3
SCHEMBL7262280 0.73 SLC18A3 (0.39) MTNR1AMTNR1BEPHX2CHRM2CHRM1
SCHEMBL7258685 0.72 MTNR1A (0.39) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL472441 0.72 MTNR1A (0.39) MTNR1AMTNR1BEPHX2DRD2HTR1D
SCHEMBL472439 0.72 MTNR1A (0.39) MTNR1AMTNR1BEPHX2DRD2HTR1D
SCHEMBL4427467 0.72 ACHE (0.62) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL23045107 0.71 MTNR1A (0.46) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL23045109 0.71 MTNR1A (0.46) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL345918 0.70 CYP1A2 (0.62) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL8080856 0.70 CYP1A2 (0.62) MTNR1AMTNR1BEPHX2CYP1A2MAPT

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-2000077027-A2 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2000-12-21 WO disclosed