SCHEMBL7698449

SCHEMBL7698449

CN(CC(=O)O)CC1CCc2ccc(F)cc2C1c1ccccc1.[LiH]

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.62
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.39
PIN1 Q13526 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
TACR1 P25103 1/20 0.38
HTR6 P50406 1/20 0.37
DRD5 P21918 5/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
Lithium Ion SCHEMBL7698448 0.90 SLC6A9 (0.54) SLC6A9MTNR1AMTNR1BTRPM8PIN1
SCHEMBL12591535 0.85 SLC6A9 (0.71) SLC6A9MTNR1AMTNR1BSIGMAR1TACR1
Hydrochloric Acid SCHEMBL7706074 0.83 SLC6A9 (0.70) SLC6A9MTNR1AMTNR1BSIGMAR1TACR1
Lithium Ion SCHEMBL7706198 0.83 SLC6A9 (0.46) SLC6A9MTNR1AMTNR1BTRPM8HTR6
Lithium Ion SCHEMBL7703444 0.82 SLC6A9 (0.62) SLC6A9MTNR1AMTNR1BSIGMAR1TACR1
SCHEMBL1761217 0.80 SLC6A9 (0.74) SLC6A9MTNR1AMTNR1BSIGMAR1TACR1
SCHEMBL7709405 0.80 SLC6A9 (0.74) SLC6A9MTNR1AMTNR1BSIGMAR1TACR1
SCHEMBL7700588 0.79 SLC6A9 (0.62) SLC6A9MTNR1AMTNR1BSIGMAR1TACR1
SCHEMBL7700589 0.79 SLC6A9 (0.62) SLC6A9MTNR1AMTNR1BSIGMAR1TACR1
SCHEMBL1761236 0.79 SLC6A9 (0.70) SLC6A9MTNR1AMTNR1BSIGMAR1TACR1

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 1 patent. 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