SCHEMBL11455144

SCHEMBL11455144

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 12/20 0.43
▸ OPRK1 P41145 10/20 0.43
▸ OPRM1 P35372 8/20 0.43
▸ OPRL1 P41146 2/20 0.43
▸ TP53 P04637 2/20 0.34
▸ MDM2 Q00987 2/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ ABCB1 P08183 2/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL11447955 0.91 OPRM1 (0.44) OPRD1OPRK1OPRM1OPRL1CCR1
SCHEMBL11465183 0.91 OPRD1 (0.43) OPRD1OPRK1OPRM1OPRL1ABCB1
SCHEMBL11604012 0.90 OPRM1 (0.47) OPRD1OPRK1OPRM1OPRL1ABCB1
SCHEMBL11455002 0.84 OPRM1 (0.42) OPRD1OPRK1OPRM1OPRL1DRD3
SCHEMBL11446372 0.82 OPRK1 (0.44) OPRD1OPRK1OPRM1OPRL1DRD3
SCHEMBL11446875 0.77 ADRA1D (0.52) —
SCHEMBL11457668 0.77 ABCB1 (0.39) OPRD1OPRK1OPRM1ABCB1DRD3
SCHEMBL11466052 0.75 OPRM1 (0.43) OPRD1OPRK1OPRM1OPRL1DRD3
SCHEMBL11446845 0.75 OPRM1 (0.42) OPRD1OPRK1OPRM1OPRL1DRD3
SCHEMBL11447147 0.73 OPRM1 (0.46) OPRD1OPRK1OPRM1OPRL1DRD3

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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