SCHEMBL7698390

SCHEMBL7698390

O=C(O)CNCC1CCc2cc(Oc3ccccc3)ccc2C1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.55
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
PPARD Q03181 7/20 0.45
SLC8A1 P32418 2/20 0.43
KDM4C Q9H3R0 2/20 0.42
FAAH O00519 2/20 0.39
NPC1 O15118 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARA Q07869 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL31757157 0.89 SLC6A9 (0.69) SLC6A9MTNR1AMTNR1BPPARDPPARA
SCHEMBL7706108 0.89 SLC6A9 (0.69) SLC6A9MTNR1AMTNR1BPPARDPPARA
Hydrochloric Acid SCHEMBL7702776 0.86 SLC6A9 (0.52) SLC6A9MTNR1AMTNR1BPPARDFAAH
Hydrochloric Acid SCHEMBL7698340 0.86 SLC6A9 (0.52) SLC6A9MTNR1AMTNR1BPPARDSLC8A1
Hydrochloric Acid SCHEMBL7704189 0.85 SLC6A9 (0.51) SLC6A9MTNR1AMTNR1BPPARDSLC8A1
SCHEMBL7702694 0.85 SLC6A9 (0.53) SLC6A9MTNR1AMTNR1BPPARDSLC8A1
Hydrochloric Acid SCHEMBL7698372 0.84 SLC6A9 (0.52) SLC6A9MTNR1AMTNR1BPPARDSLC8A1
Hydrochloric Acid SCHEMBL7698597 0.84 SLC6A9 (0.55) SLC6A9MTNR1AMTNR1BPPARDPPARA
SCHEMBL7699247 0.84 MTNR1A (0.53) SLC6A9MTNR1AMTNR1BPPARDPPARA
Hydrochloric Acid SCHEMBL7701267 0.83 MTNR1A (0.49) SLC6A9MTNR1AMTNR1BPPARDPPARA

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