SCHEMBL7700588

SCHEMBL7700588

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.62
MTNR1B P49286 3/20 0.42
MTNR1A P48039 2/20 0.42
HTR6 P50406 3/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TACR1 P25103 1/20 0.36
DPP4 P27487 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
LTA4H P09960 1/20 0.35
CNR1 P21554 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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 1.00 SLC6A9 (0.62) SLC6A9MTNR1BMTNR1AHTR6KDM4E
SCHEMBL7704407 0.88 SLC6A9 (0.60) SLC6A9MTNR1BMTNR1AKDM4EALDH1A1
SCHEMBL7700569 0.87 SLC6A9 (0.81) SLC6A9MTNR1BMTNR1ALTA4H
SCHEMBL7700515 0.86 SLC6A9 (0.49) SLC6A9TACR1
Lithium Ion SCHEMBL7703444 0.85 SLC6A9 (0.62) SLC6A9MTNR1BMTNR1AHTR6TACR1
SCHEMBL7700190 0.84 SLC6A9 (0.65) SLC6A9MAPTLTA4H
SCHEMBL7704263 0.83 SLC6A9 (0.55) SLC6A9MTNR1BMTNR1AALDH1A1
SCHEMBL7698449 0.79 SLC6A9 (0.62) SLC6A9MTNR1BMTNR1AHTR6TACR1
SCHEMBL1761217 0.79 SLC6A9 (0.74) SLC6A9MTNR1BMTNR1ATACR1SIGMAR1
SCHEMBL7709405 0.79 SLC6A9 (0.74) SLC6A9MTNR1BMTNR1ATACR1SIGMAR1

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