SCHEMBL7700569

SCHEMBL7700569

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

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.81
MTNR1B P49286 3/20 0.41
MTNR1A P48039 2/20 0.41
PPARD Q03181 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HSD17B2 P37059 2/20 0.39
SLC10A2 Q12908 1/20 0.38
LTA4H P09960 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Org-25935 SCHEMBL27034881 0.90 SLC6A9 (1.00) SLC6A9MTNR1BMTNR1APPARDTAS2R14
Org-25935 SCHEMBL7703430 0.90 SLC6A9 (1.00) SLC6A9MTNR1BMTNR1APPARDTAS2R14
Org-25935 SCHEMBL1761267 0.90 SLC6A9 (1.00) SLC6A9MTNR1BMTNR1APPARDTAS2R14
Hydrochloric Acid SCHEMBL7698457 0.90 SLC6A9 (0.77) SLC6A9MTNR1BMTNR1APPARDTAS2R14
Org-25935 SCHEMBL7703262 0.89 SLC6A9 (0.98) SLC6A9MTNR1BMTNR1APPARDTAS2R14
SCHEMBL7700190 0.89 SLC6A9 (0.65) SLC6A9LTA4H
SCHEMBL19501070 0.88 SLC6A9 (0.88) SLC6A9MTNR1BMTNR1APPARDTAS2R14
SCHEMBL7700589 0.87 SLC6A9 (0.62) SLC6A9MTNR1BMTNR1ALTA4H
SCHEMBL7700588 0.87 SLC6A9 (0.62) SLC6A9MTNR1BMTNR1ALTA4H
SCHEMBL7704407 0.87 SLC6A9 (0.60) SLC6A9MTNR1BMTNR1ALTA4H

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