SCHEMBL6564837

SCHEMBL6564837

NC(=O)c1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)C2CCN(C(=O)O)C(Cc3ccccc3)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 10/20 0.53
OPRK1 P41145 7/20 0.41
OPRM1 P35372 5/20 0.40
OPRD1 P41143 4/20 0.40
KCNH2 Q12809 6/20 0.40
RXRA P19793 1/20 0.39
NR1H2 P55055 1/20 0.39
TACR1 P25103 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
SCHEMBL6567271 0.91 NR1H3 (0.52) NR1H3OPRK1OPRM1OPRD1KCNH2
SCHEMBL6564806 0.90 NR1H3 (0.54) NR1H3RXRANR1H2TACR1
SCHEMBL6566798 0.90 NR1H3 (0.45) NR1H3OPRK1OPRM1OPRD1KCNH2
SCHEMBL6566796 0.85 NR1H3 (0.53) NR1H3OPRK1OPRM1OPRD1KCNH2
SCHEMBL6565734 0.83 NR1H3 (0.55) NR1H3RXRANR1H2
SCHEMBL6515334 0.83 NR1H3 (0.53) NR1H3OPRK1OPRM1OPRD1KCNH2
SCHEMBL6512042 0.83 NR1H3 (0.51) NR1H3OPRK1OPRM1OPRD1KCNH2
SCHEMBL6512193 0.82 NR1H3 (0.52) NR1H3OPRK1OPRM1OPRD1KCNH2
SCHEMBL6515354 0.81 NR1H3 (0.54) NR1H3OPRK1OPRM1OPRD1KCNH2
SCHEMBL6515267 0.81 NR1H3 (0.50) NR1H3OPRK1OPRM1OPRD1RXRA

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