SCHEMBL29538590

SCHEMBL29538590

CCNC(=O)NCCC1CCc2ccc3nc(C)oc3c21

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.79
MTNR1B P49286 20/20 0.79

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
SCHEMBL2297124 1.00 MTNR1A (0.79) MTNR1AMTNR1B
SCHEMBL29426443 0.88 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL2295114 0.88 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL2294737 0.88 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL2294740 0.88 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL2299672 0.88 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL2296992 0.88 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL2296995 0.88 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL29426436 0.88 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL2298982 0.86 MTNR1A (1.00) MTNR1AMTNR1B

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
CN-108697689-B Prophylactic or therapeutic agent for autism spectrum disorder 武田药品工业株式会社 2022-04-26 CN disclosed