SCHEMBL7698703

SCHEMBL7698703

CN(CC(=O)O)CC1CCc2cc(C(F)(F)F)ccc2C1c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.59
FFAR1 O14842 1/20 0.40
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
SRD5A1 P18405 1/20 0.38
TACR1 P25103 3/20 0.38
TBXA2R P21731 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
POLQ O75417 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
HTR6 P50406 1/20 0.36
PDE2A O00408 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
SCHEMBL1761236 0.92 SLC6A9 (0.70) SLC6A9FFAR1PPARDPPARASRD5A1
Lithium Ion SCHEMBL7702956 0.91 SLC6A9 (0.49) SLC6A9FFAR1SRD5A1TACR1TBXA2R
SCHEMBL7700515 0.88 SLC6A9 (0.49) SLC6A9FFAR1PPARDPPARASRD5A1
Lithium Ion SCHEMBL7702768 0.84 SLC6A9 (0.60) SLC6A9FFAR1PPARDPPARASRD5A1
Hydrochloric Acid SCHEMBL7709311 0.83 SLC6A9 (0.59) SLC6A9TACR1
SCHEMBL7704527 0.81 PPARD (0.41) SLC6A9FFAR1PPARDPPARASRD5A1
Lithium Ion SCHEMBL7698371 0.81 SLC6A9 (0.53) SLC6A9SRD5A1HTR6
SCHEMBL7698449 0.78 SLC6A9 (0.62) SLC6A9TACR1HTR6
Lithium Ion SCHEMBL7703444 0.77 SLC6A9 (0.62) SLC6A9TACR1HTR6
SCHEMBL7709405 0.77 SLC6A9 (0.74) SLC6A9FFAR1PPARDPPARASRD5A1

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 4 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 claimed
US-6410592-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS AKZO NOBEL N.V. (NL) 2002-06-25 US claimed
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