SCHEMBL7704263

SCHEMBL7704263

CCOC(=O)CN(C)C[C@H]1CCc2cc(-c3cccs3)ccc2[C@H]1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.55
FFAR1 O14842 1/20 0.41
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HDAC3 O15379 6/20 0.38
HDAC1 Q13547 6/20 0.38
HDAC2 Q92769 6/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
SLC6A4 P31645 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
Hydrochloric Acid SCHEMBL7711890 0.89 SLC6A9 (0.63) SLC6A9FFAR1MTNR1AMTNR1BHDAC3
SCHEMBL7700589 0.83 SLC6A9 (0.62) SLC6A9MTNR1AMTNR1BALDH1A1
SCHEMBL7700588 0.83 SLC6A9 (0.62) SLC6A9MTNR1AMTNR1BALDH1A1
SCHEMBL7704407 0.82 SLC6A9 (0.60) SLC6A9FFAR1MTNR1AMTNR1BALDH1A1
SCHEMBL7700569 0.82 SLC6A9 (0.81) SLC6A9MTNR1AMTNR1B
SCHEMBL7703450 0.82 SLC6A9 (0.48) SLC6A9FFAR1MTNR1AMTNR1BHDAC3
SCHEMBL7703449 0.82 SLC6A9 (0.48) SLC6A9FFAR1MTNR1AMTNR1BHDAC3
SCHEMBL7703453 0.82 SLC6A9 (0.48) SLC6A9FFAR1MTNR1AMTNR1BHDAC3
SCHEMBL7700190 0.79 SLC6A9 (0.65) SLC6A9FFAR1
Hydrochloric Acid SCHEMBL7709388 0.76 SLC6A9 (0.72) SLC6A9MTNR1AMTNR1B

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-1100769-B1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 EP disclosed
US-6410592-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS AKZO NOBEL N.V. (NL) 2002-06-25 US disclosed