SCHEMBL11465183

SCHEMBL11465183

CCCOC1(c2ccccc2)CCN(CC(C)Nc2ccc(N)cc2C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 9/20 0.43
▸ OPRK1 P41145 9/20 0.43
▸ OPRM1 P35372 9/20 0.43
▸ OPRL1 P41146 2/20 0.43
▸ ABCB1 P08183 4/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL11455144 0.91 OPRD1 (0.43) OPRD1OPRK1OPRM1OPRL1ABCB1
SCHEMBL11604012 0.90 OPRM1 (0.47) OPRD1OPRK1OPRM1OPRL1ABCB1
SCHEMBL11447955 0.90 OPRM1 (0.44) OPRD1OPRK1OPRM1OPRL1DRD3
SCHEMBL11446845 0.84 OPRM1 (0.42) OPRD1OPRK1OPRM1OPRL1DRD3
SCHEMBL11446372 0.82 OPRK1 (0.44) OPRD1OPRK1OPRM1OPRL1DRD3
SCHEMBL11446888 0.79 DRD3 (0.38) OPRD1OPRK1OPRM1OPRL1DRD3
SCHEMBL11448099 0.77 ADRA1D (0.49) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL11446517 0.77 ADRB2 (0.49) OPRK1ADRB2ADRB1ADRB3ADRA1D
SCHEMBL11457668 0.77 ABCB1 (0.39) OPRD1OPRK1OPRM1ABCB1DRD3
SCHEMBL11466094 0.76 SIGMAR1 (0.44) OPRD1OPRK1OPRM1ADRB2ADRB1

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 3 patents. 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
US-4085107-A ANALGESICS PENNWALT CORPORATION (US) 1978-04-18 — — US disclosed
US-4060526-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1977-11-29 — — US disclosed
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