SCHEMBL6672371

SCHEMBL6672371

CC(C)(C)N(CCc1ccccc1)C(=O)OCc1ccc(Oc2ccc(C(N)=O)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.56
OPRD1 P41143 5/20 0.56
OPRK1 P41145 5/20 0.56
P4HTM Q9NXG6 1/20 0.41
ACACB O00763 3/20 0.41
ACACA Q13085 3/20 0.41
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PPARG P37231 2/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NPY5R Q15761 1/20 0.38
ALOX5 P09917 1/20 0.38
P2RX3 P56373 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GRIN1 Q05586 1/20 0.37
KCNH2 Q12809 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
SCHEMBL3691735 0.79 OPRM1 (0.56) OPRM1OPRD1OPRK1ACACBACACA
SCHEMBL3895438 0.77 OPRM1 (0.64) OPRM1OPRD1OPRK1P4HTM
SCHEMBL27741121 0.77 KMT2A (0.45) LTB4RLTB4R2ALOX5SLC6A2SLC6A3
SCHEMBL29757291 0.72 OPRM1 (0.64) OPRM1OPRD1OPRK1P4HTM
SCHEMBL27897920 0.72 ATM (0.47) KCNH2
SCHEMBL3771658 0.72 OPRM1 (1.00) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL28384505 0.71 NPC1 (0.46) SLC6A2
SCHEMBL23488365 0.71 P4HTM (0.77) OPRM1OPRD1OPRK1P4HTMFFAR1
SCHEMBL12018652 0.70 OPRM1 (0.47) OPRM1OPRD1OPRK1
SCHEMBL7330265 0.70 LTB4R (0.48) LTB4RLTB4R2FFAR1FFAR4ALOX5

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
WO-2004026305-A9 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST LILLY CO ELI (US) 2004-05-13 WO disclosed