SCHEMBL11682900

SCHEMBL11682900

O=C(ON1CCC2(CC1)OC(c1ccccc1)c1ccccc12)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ PRCP P42785 4/20 0.41
▸ SIGMAR1 Q99720 8/20 0.41
▸ ADRA2A P08913 1/20 0.38
▸ SLC18A3 Q16572 2/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ EBP Q15125 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
SCHEMBL11684151 0.92 OPRD1 (0.42) OPRD1KCNH2PRCPSIGMAR1SLC18A3
SCHEMBL11686121 0.91 TSHR (0.42) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11683068 0.85 ALDH1A1 (0.40) OPRD1KCNH2PRCP
SCHEMBL11684960 0.79 OPRD1 (0.57) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11862874 0.78 OPRD1 (0.52) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11853407 0.77 SIGMAR1 (0.56) OPRD1KCNH2SIGMAR1
SCHEMBL11860423 0.76 SIGMAR1 (0.54) OPRD1KCNH2SIGMAR1ADRA2A
SCHEMBL11682895 0.76 KCNH2 (0.57) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11681373 0.76 OPRD1 (0.60) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11681814 0.75 OPRD1 (0.54) OPRD1KCNH2PRCPSIGMAR1ADRA2A

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
US-4024263-A ANALGESIC, ANTICONVULSANT, ANTIDEPRESSANT AMERICAN HOECHST CORPORATION (US) 1977-05-17 — — US disclosed
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