SCHEMBL3695729

SCHEMBL3695729

[CH2]C(C)(C)c1ccc(Oc2ccc(C(N)=O)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 12/20 0.54
▸ OPRK1 P41145 11/20 0.54
▸ OPRD1 P41143 8/20 0.54
▸ NNMT P40261 2/20 0.54
▸ LMNA P02545 1/20 0.51
▸ GRIN2D O15399 1/20 0.49
▸ GRIN3B O60391 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ GRIN1 Q05586 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ GRIN2A Q12879 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49
▸ ROCK1 Q13464 1/20 0.49
▸ GRIN2C Q14957 1/20 0.49
▸ GRIN3A Q8TCU5 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ABCB1 P08183 1/20 0.44

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
SCHEMBL19363007 0.89 RAB9A (0.62) OPRM1OPRK1OPRD1NNMTLMNA
SCHEMBL3695078 0.84 OPRM1 (0.55) OPRM1OPRK1OPRD1NNMTLMNA
SCHEMBL21628591 0.84 OPRM1 (0.55) OPRM1OPRK1OPRD1NNMTLMNA
SCHEMBL21628911 0.83 LMNA (0.64) OPRM1OPRK1OPRD1NNMTLMNA
SCHEMBL13043807 0.81 NNMT (0.61) OPRM1OPRK1OPRD1NNMTGRIN2D
SCHEMBL13285558 0.81 NNMT (0.61) OPRM1OPRK1OPRD1NNMTGRIN2D
SCHEMBL21628813 0.81 LMNA (0.54) OPRM1OPRK1OPRD1NNMTLMNA
SCHEMBL21628524 0.81 LMNA (0.54) OPRM1OPRK1OPRD1NNMTLMNA
SCHEMBL10056174 0.80 PARP10 (0.64) OPRM1OPRK1OPRD1NNMTGRIN2D
SCHEMBL29920899 0.79 LMNA (0.52) OPRM1OPRK1OPRD1NNMTLMNA

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-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 — — EP disclosed
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