SCHEMBL5496592

SCHEMBL5496592

CC(=O)NC1CCc2cc(SC(C)(C)C(=O)O)c(-c3ccccc3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.52
MTNR1B P49286 7/20 0.52
SLC22A12 Q96S37 8/20 0.45
APOB P04114 1/20 0.39
MTTP P55157 1/20 0.39
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL3851046 0.90 MTNR1A (0.48) MTNR1AMTNR1BSLC22A12APOBMTTP
SCHEMBL3850247 0.74 MTNR1A (0.46) MTNR1AMTNR1B
SCHEMBL3847526 0.72 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL1970411 0.70 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL1970413 0.70 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL13843837 0.70 MTNR1A (0.39) MTNR1AMTNR1BSLC22A12
SCHEMBL13843860 0.68 PPARD (0.41) MTNR1AMTNR1BPPARDPPARA
SCHEMBL3858044 0.68 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL3973524 0.67 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL13843864 0.67 EPHX2 (0.51) PPARDPPARA

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-1745016-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-24 EP disclosed
WO-2005105737-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-10 WO disclosed