SCHEMBL7704527

SCHEMBL7704527

O=C(O)CNCC1CCc2cc(C(F)(F)F)ccc2C1c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
RORC P51449 3/20 0.39
FFAR1 O14842 1/20 0.38
SLC6A9 P48067 1/20 0.38
TACR1 P25103 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
SRD5A1 P18405 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
KDM1A O60341 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
SCHEMBL7698703 0.81 SLC6A9 (0.59) PPARDPPARAFFAR1SLC6A9TACR1
Lithium Ion SCHEMBL7702956 0.77 SLC6A9 (0.49) RORCFFAR1SLC6A9TACR1TRPV1
SCHEMBL7699247 0.76 MTNR1A (0.53) PPARDPPARAMTNR1AMTNR1BFFAR1
Hydrochloric Acid SCHEMBL7701267 0.75 MTNR1A (0.49) PPARDPPARAMTNR1AMTNR1BFFAR1
Hydrochloric Acid SCHEMBL7706012 0.74 MTNR1A (0.65) MTNR1AMTNR1BSLC6A9
SCHEMBL31757157 0.74 SLC6A9 (0.69) PPARDPPARAMTNR1AMTNR1BSLC6A9
SCHEMBL7698390 0.74 SLC6A9 (0.55) PPARDPPARAMTNR1AMTNR1BSLC6A9
SCHEMBL7706108 0.74 SLC6A9 (0.69) PPARDPPARAMTNR1AMTNR1BSLC6A9
Hydrochloric Acid SCHEMBL7706179 0.73 MTNR1A (0.47) PPARDPPARAMTNR1AMTNR1BFFAR1
SCHEMBL7700515 0.73 SLC6A9 (0.49) PPARDPPARARORCFFAR1SLC6A9

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