SCHEMBL11446845

SCHEMBL11446845

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.42
▸ OPRD1 P41143 4/20 0.42
▸ OPRK1 P41145 4/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ DRD3 P35462 1/20 0.38
▸ ADRA1A P35348 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL11446888 0.95 DRD3 (0.38) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11455002 0.91 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11447147 0.90 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11466052 0.89 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11465441 0.87 ADRA1A (0.42) OPRM1OPRD1OPRK1DRD3ADRA1A
SCHEMBL11446213 0.84 DRD3 (0.41) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11465183 0.84 OPRD1 (0.43) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11456856 0.83 DRD2 (0.46) OPRM1OPRL1DRD3ALDH1A1
SCHEMBL11446493 0.81 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11662564 0.80 DRD3 (0.39) OPRM1OPRD1OPRK1DRD3ADRA1A

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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