SCHEMBL11446493

SCHEMBL11446493

CCCOC1(c2ccccc2)CCN(CCNc2ccccc2C(=O)NC)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.45
▸ OPRD1 P41143 5/20 0.45
▸ OPRK1 P41145 5/20 0.45
▸ OPRL1 P41146 1/20 0.45
▸ DRD3 P35462 1/20 0.40
▸ CNR2 P34972 3/20 0.39
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37

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
SCHEMBL11447147 0.89 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11446492 0.86 DRD3 (0.56) OPRM1OPRD1OPRK1DRD3ADRA1D
SCHEMBL11446213 0.83 DRD3 (0.41) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11455002 0.81 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11446845 0.81 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11466052 0.80 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11662564 0.80 DRD3 (0.39) OPRM1OPRD1OPRK1DRD3ADRA1A
SCHEMBL11446519 0.79 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11605365 0.77 SIRT2 (0.39) DRD3ADRA1DADRA1AADRA1B
SCHEMBL11446888 0.76 DRD3 (0.38) 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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