SCHEMBL9466960

SCHEMBL9466960

O=C(O)C(CC1CCc2ccccc21)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.50
MTNR1A P48039 3/20 0.50
HTR6 P50406 1/20 0.47
FFAR1 O14842 1/20 0.43
PIN1 Q13526 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP11B2 P19099 1/20 0.41
HTT P42858 1/20 0.41
EPHX2 P34913 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL29538416 0.87 MTNR1B (0.48) MTNR1BMTNR1AHTR6FFAR1PIN1
SCHEMBL1176599 0.85 HTR6 (0.48) MTNR1BMTNR1AHTR6FFAR1PIN1
SCHEMBL9466551 0.82 MTNR1A (0.44) MTNR1BMTNR1AHTR6FFAR1PIN1
SCHEMBL1470461 0.81 FFAR1 (0.62) MTNR1BMTNR1AHTR6FFAR1PRMT5
SCHEMBL7847075 0.81 FFAR1 (0.62) MTNR1BMTNR1AHTR6FFAR1PRMT5
SCHEMBL7845908 0.81 FFAR1 (0.62) MTNR1BMTNR1AHTR6FFAR1PRMT5
SCHEMBL11732903 0.78 MTNR1A (0.49) MTNR1BMTNR1AHTR6FFAR1PIN1
SCHEMBL1567103 0.78 MTNR1A (0.56) MTNR1BMTNR1AHTR6FFAR1PIN1
SCHEMBL1567606 0.77 MTNR1A (0.51) MTNR1BMTNR1AHTR6FFAR1PIN1
SCHEMBL1567241 0.77 MTNR1A (0.55) MTNR1BMTNR1AHTR6EPHX2

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-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 US disclosed