SCHEMBL15501019

SCHEMBL15501019

Cc1ccc(CC2CCC(N(c3cccc(C)c3)c3cccc(C)c3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
FAAH O00519 2/20 0.38
PTGIR P43119 2/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CCR5 P51681 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL22542169 0.75 OPRM1 (0.41) OPRM1FAAHSLC6A2SLC6A4SLC6A3
SCHEMBL15501009 0.73 SIGMAR1 (0.35) OPRM1OPRD1OPRK1PTGIRSLC6A2
SCHEMBL23886405 0.72 TAAR1 (0.48) FAAHPOLB
SCHEMBL16191194 0.69 KEAP1 (0.43) OPRM1FAAHLMNAKEAP1NFE2L2
SCHEMBL19302171 0.69 KEAP1 (0.45) OPRM1FAAHLMNAKEAP1NFE2L2
SCHEMBL20412547 0.68 KEAP1 (0.42) OPRM1FAAHCCR5LMNAKEAP1
SCHEMBL19139330 0.68 HRH3 (0.46) OPRM1FAAHCCR5LMNAKEAP1
SCHEMBL24054526 0.68 ACHE (0.42) LMNAPOLB
SCHEMBL19392517 0.68 KEAP1 (0.42) OPRM1FAAHCCR5LMNAKEAP1
SCHEMBL24054648 0.67 HTR7 (0.42) PTGIRSLC6A2SLC6A4SLC6A3POLB

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-1308494-B1 Organic electroluminescence element PIONEER CORP (JP) 2014-03-12 EP disclosed