SCHEMBL6566796

SCHEMBL6566796

NC(=O)c1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)C2CCN(C(=O)O)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 10/20 0.53
RXRA P19793 1/20 0.43
NR1H2 P55055 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 4/20 0.41
KCNH2 Q12809 3/20 0.41
PARP14 Q460N5 2/20 0.39
PARP10 Q53GL7 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL6515334 0.94 NR1H3 (0.53) NR1H3RXRANR1H2OPRM1OPRD1
SCHEMBL6512193 0.94 NR1H3 (0.52) NR1H3RXRANR1H2OPRM1OPRD1
SCHEMBL6515354 0.93 NR1H3 (0.54) NR1H3RXRANR1H2OPRM1OPRD1
SCHEMBL6515000 0.90 NR1H3 (0.51) NR1H3RXRANR1H2OPRM1OPRD1
SCHEMBL6515267 0.89 NR1H3 (0.50) NR1H3RXRANR1H2OPRM1OPRD1
SCHEMBL6515545 0.89 NR1H3 (0.44) NR1H3RXRANR1H2OPRM1OPRD1
SCHEMBL6512217 0.89 NR1H3 (0.56) NR1H3RXRANR1H2OPRM1OPRD1
SCHEMBL6521358 0.87 NR1H3 (0.57) NR1H3RXRANR1H2
SCHEMBL6512042 0.87 NR1H3 (0.51) NR1H3OPRM1OPRD1OPRK1KCNH2
SCHEMBL6567271 0.85 NR1H3 (0.52) NR1H3RXRANR1H2OPRM1OPRD1

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