SCHEMBL9727669

SCHEMBL9727669

Oc1cc2c(cc1CCCCc1ccccc1)OC(CCc1ccccc1)C2

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43

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
SCHEMBL14435039 0.93 AKR1B1 (0.40) MTNR1AMTNR1B
SCHEMBL5506271 0.89 MAOA (0.41)
SCHEMBL5505040 0.84 AKR1B1 (0.37)
SCHEMBL9727677 0.82 PTGDR2 (0.38)
SCHEMBL9727764 0.81 IGF1R (0.35)
SCHEMBL9727674 0.79 LTB4R (0.38)
SCHEMBL5502112 0.78 DRD2 (0.45)
SCHEMBL10655255 0.77 ALOX5 (0.42)
SCHEMBL9727749 0.77 MAOA (0.34)
SCHEMBL14435033 0.76 HTR6 (0.43)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091533-A Treating allergies, cardiovascular disorders, inflammation MERCK FROSST CANADA, INC. (CA) 1992-02-25 US disclosed
EP-0447189-A1 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1991-09-18 EP disclosed