SCHEMBL6567271

SCHEMBL6567271

CCC1CC(N(CCCOc2cccc(C(N)=O)c2)CC(c2ccccc2)c2ccccc2)CCN1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 10/20 0.52
OPRK1 P41145 6/20 0.41
KCNH2 Q12809 4/20 0.41
OPRM1 P35372 3/20 0.41
OPRD1 P41143 1/20 0.40
RXRA P19793 1/20 0.40
NR1H2 P55055 1/20 0.40
ESR1 P03372 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6564837 0.91 NR1H3 (0.53) NR1H3OPRK1KCNH2OPRM1OPRD1
SCHEMBL6565734 0.89 NR1H3 (0.55) NR1H3RXRANR1H2NPC1HPGD
SCHEMBL6566796 0.85 NR1H3 (0.53) NR1H3OPRK1KCNH2OPRM1OPRD1
SCHEMBL6515354 0.84 NR1H3 (0.54) NR1H3OPRK1KCNH2OPRM1OPRD1
SCHEMBL6515334 0.84 NR1H3 (0.53) NR1H3OPRK1KCNH2OPRM1OPRD1
SCHEMBL6515000 0.83 NR1H3 (0.51) NR1H3OPRK1KCNH2OPRM1OPRD1
SCHEMBL6512193 0.83 NR1H3 (0.52) NR1H3OPRK1KCNH2OPRM1OPRD1
SCHEMBL6566798 0.82 NR1H3 (0.45) NR1H3OPRK1KCNH2OPRM1OPRD1
SCHEMBL6512217 0.81 NR1H3 (0.56) NR1H3OPRK1KCNH2OPRM1OPRD1
SCHEMBL6564806 0.81 NR1H3 (0.54) NR1H3RXRANR1H2

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-1318976-B1 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LTD (GB) 2004-11-24 EP claimed