SCHEMBL9049080

SCHEMBL9049080

O=C[C@H]1NCC(=S)C1C(=O)[C@H]1NCC(=S)C1C(=O)C[C@@H]1CCc2ccccc2C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 12/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
NPY1R P25929 1/20 0.33
NPY5R Q15761 1/20 0.33
GBA1 P04062 1/20 0.33
CYP19A1 P11511 1/20 0.32
DGAT1 O75907 1/20 0.31
UGCG Q16739 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL8155778 1.00 PREP (0.36) PREPADRA1DADRA1AADRA1BNPY1R
SCHEMBL7291285 0.93
SCHEMBL9049832 0.91 GBA1 (0.36) PREPADRA1DADRA1AADRA1BNPY1R
SCHEMBL9049068 0.91 GBA1 (0.36) PREPADRA1DADRA1AADRA1BNPY1R
SCHEMBL9047631 0.89 GBA1 (0.39) PREPADRA1DADRA1AADRA1BNPY1R
SCHEMBL9049992 0.89 GBA1 (0.39) PREPADRA1DADRA1AADRA1BNPY1R
SCHEMBL9047368 0.88 GBA1 (0.42) PREPADRA1DADRA1AADRA1BNPY1R
SCHEMBL9049913 0.85 PREP (0.30) PREP
SCHEMBL7294861 0.85 PREP (0.39) PREPADRA1DADRA1AADRA1BNPY1R
SCHEMBL7295266 0.85 PREP (0.39) PREPADRA1DADRA1AADRA1BNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536399-B1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 1996-01-24 EP disclosed
US-5407950-A Brain disorders, senile dementia ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-04-18 US disclosed
EP-0536399-A1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1993-04-14 EP disclosed