SCHEMBL8045519

SCHEMBL8045519

O=CC1CCc2ccc3c(c2O1)OCCO3

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.32
ERN1 O75460 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8052224 0.83 HTR2A (0.33) L3MBTL1TDP1
SCHEMBL8046729 0.81 MTNR1A (0.39) MTNR1AMTNR1BL3MBTL1
SCHEMBL7209043 0.72 L3MBTL1 (0.35) L3MBTL1TDP1
SCHEMBL10509049 0.72 L3MBTL1 (0.35) L3MBTL1TDP1
SCHEMBL27617088 0.72 L3MBTL1 (0.35) L3MBTL1KDM4ETDP1
SCHEMBL5723418 0.70 L3MBTL1 (0.39) L3MBTL1KDM4ETDP1
Fluoride SCHEMBL27841384 0.69 CA2 (0.47)
SCHEMBL15882382 0.69 L3MBTL1 (0.43) L3MBTL1TDP1
SCHEMBL4830484 0.67 CA2 (0.48)
SCHEMBL15219655 0.67 CA2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100268-A MIGRAINES JANSSEN PHARMACEUTICA, N.V. (BE) 2000-08-08 US disclosed
US-5824682-A Vasoconstrictive dihydrobenzopyran derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 1998-10-20 US disclosed
EP-0714396-A1 VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-06-05 EP disclosed
WO-1995005383-A1 VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-02-23 WO disclosed