SCHEMBL11294282

SCHEMBL11294282

CCCC(C)C(=O)NC1CCc2ccccc2C1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.64
MTNR1B P49286 5/20 0.64
TAOK1 Q7L7X3 4/20 0.56
TAOK3 Q9H2K8 4/20 0.56
GRM7 Q14831 3/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MME P08473 1/20 0.44

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
SCHEMBL6561215 0.90 GRM7 (0.60) MTNR1AMTNR1BTAOK1TAOK3GRM7
SCHEMBL8887633 0.84 HTR1D (0.57) MTNR1AMTNR1BTAOK1TAOK3GRM7
SCHEMBL26763719 0.83 MTNR1A (0.69) MTNR1AMTNR1BTAOK1TAOK3GRM7
SCHEMBL11298161 0.83 MTNR1A (0.54) MTNR1AMTNR1BTAOK1TAOK3
SCHEMBL9731275 0.78 MTNR1A (1.00) MTNR1AMTNR1BTAOK1TAOK3MAOA
SCHEMBL4112887 0.77 MTNR1A (1.00) MTNR1AMTNR1BMAOAMAOB
SCHEMBL827706 0.77 MTNR1A (1.00) MTNR1AMTNR1BMAOAMAOB
SCHEMBL2597383 0.77 MTNR1A (1.00) MTNR1AMTNR1BMAOAMAOB
SCHEMBL8885912 0.77 CA1 (0.40) MTNR1AMTNR1BTAOK1TAOK3
SCHEMBL6932016 0.77 MTNR1A (0.38) MTNR1AMTNR1BTAOK1TAOK3

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
WO-1981003491-A1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES ASTRA LAEKEMEDEL AB (SE) 1981-12-10 WO disclosed
EP-0041488-A1 Therapeutically useful tetralin derivatives Arvidsson, Folke Lars-Erik (SE) 1981-12-09 EP disclosed