SCHEMBL7704407

SCHEMBL7704407

CCOC(=O)CN(C)C[C@H]1CCc2ccccc2[C@H]1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.60
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
SIGMAR1 Q99720 3/20 0.47
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
LTA4H P09960 1/20 0.38
ALOX15 P16050 1/20 0.37
FFAR1 O14842 2/20 0.36
TACR1 P25103 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
SCHEMBL7700589 0.88 SLC6A9 (0.62) SLC6A9MTNR1AMTNR1BSIGMAR1ALDH1A1
SCHEMBL7700588 0.88 SLC6A9 (0.62) SLC6A9MTNR1AMTNR1BSIGMAR1ALDH1A1
SCHEMBL12591535 0.87 SLC6A9 (0.71) SLC6A9MTNR1AMTNR1BSIGMAR1ALDH1A1
SCHEMBL7700569 0.87 SLC6A9 (0.81) SLC6A9MTNR1AMTNR1BLTA4H
Hydrochloric Acid SCHEMBL7706074 0.86 SLC6A9 (0.70) SLC6A9MTNR1AMTNR1BSIGMAR1ALDH1A1
SCHEMBL7700190 0.84 SLC6A9 (0.65) SLC6A9MAPTLTA4HFFAR1
SCHEMBL7704263 0.82 SLC6A9 (0.55) SLC6A9MTNR1AMTNR1BALDH1A1HTT
SCHEMBL19501073 0.81 SIGMAR1 (0.58) SLC6A9MTNR1AMTNR1BSIGMAR1
SCHEMBL1761264 0.78 SLC6A9 (0.81) SLC6A9MTNR1AMTNR1B
SCHEMBL7709405 0.77 SLC6A9 (0.74) SLC6A9MTNR1AMTNR1BSIGMAR1FFAR1

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