SCHEMBL11455002

SCHEMBL11455002

CCCOC1(c2ccccc2)CCN(CCNc2ccc(O)cc2C(N)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ DRD3 P35462 2/20 0.38
▸ ADRA1A P35348 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
SCHEMBL11466052 0.91 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11446845 0.91 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11447147 0.90 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11446888 0.86 DRD3 (0.38) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11446213 0.84 DRD3 (0.41) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11455144 0.84 OPRD1 (0.43) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11446630 0.83 DRD2 (0.46) OPRM1OPRL1
SCHEMBL11446493 0.81 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11662564 0.80 DRD3 (0.39) OPRM1OPRD1OPRK1DRD3ADRA1A
SCHEMBL11454802 0.80 HTR7 (0.52) OPRM1OPRD1OPRK1OPRL1DRD3

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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