SCHEMBL11446372

SCHEMBL11446372

CCCOC1(c2ccccc2)CCN(CC(C)Nc2cccc(C(N)=O)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 13/20 0.44
▸ OPRM1 P35372 11/20 0.44
▸ OPRD1 P41143 10/20 0.44
▸ OPRL1 P41146 1/20 0.44
▸ HTR7 P34969 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PLD2 O14939 1/20 0.37
▸ PLD1 Q13393 1/20 0.37
▸ ARRB1 P49407 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ MET P08581 1/20 0.36

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
SCHEMBL11604012 0.84 OPRM1 (0.47) OPRK1OPRM1OPRD1OPRL1DRD3
SCHEMBL11454802 0.83 HTR7 (0.52) OPRK1OPRM1OPRD1OPRL1HTR7
SCHEMBL11455144 0.82 OPRD1 (0.43) OPRK1OPRM1OPRD1OPRL1DRD3
SCHEMBL11465183 0.82 OPRD1 (0.43) OPRK1OPRM1OPRD1OPRL1DRD3
SCHEMBL11447955 0.81 OPRM1 (0.44) OPRK1OPRM1OPRD1OPRL1DRD3
SCHEMBL11684188 0.72 OPRM1 (0.63) OPRK1OPRM1OPRD1OPRL1DRD3
SCHEMBL11457668 0.71 ABCB1 (0.39) OPRK1OPRM1OPRD1DRD3
SCHEMBL19475380 0.69 OPRM1 (0.66) OPRK1OPRM1OPRD1OPRL1DRD3
SCHEMBL9053106 0.69 DRD3 (0.72) OPRK1OPRM1OPRD1OPRL1DRD3
SCHEMBL11447147 0.69 OPRM1 (0.46) OPRK1OPRM1OPRD1OPRL1HTR7

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-4205173-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1980-05-27 — — US disclosed
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