SCHEMBL6196659

SCHEMBL6196659

COc1ccc2cccc(CCC3(O)[CH]CCCC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.49
MTNR1B P49286 16/20 0.49
HTR2C P28335 4/20 0.32
KCNH2 Q12809 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL27366785 0.70 MTNR1A (0.63) MTNR1AMTNR1B
SCHEMBL31332052 0.70 MTNR1A (0.63) MTNR1AMTNR1B
SCHEMBL4043872 0.70 MTNR1A (0.47) MTNR1AMTNR1BHTR2CKCNH2
SCHEMBL3573632 0.70 MTNR1A (0.52) MTNR1AMTNR1BHTR2C
Hydrochloric Acid SCHEMBL20561917 0.69 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL14400281 0.68 MTNR1A (0.61) MTNR1AMTNR1BHTR2C
Trifluoroacetic Acid SCHEMBL3571194 0.68 MTNR1A (0.50) MTNR1AMTNR1BHTR2CKCNH2
SCHEMBL31331960 0.68 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL27366783 0.68 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL28892601 0.67 MTNR1A (0.56) MTNR1AMTNR1BHTR2C

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
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed