SCHEMBL11447955

SCHEMBL11447955

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.44
▸ OPRK1 P41145 4/20 0.44
▸ OPRD1 P41143 3/20 0.44
▸ OPRL1 P41146 2/20 0.44
▸ SOAT1 P35610 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34

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) OPRM1OPRK1OPRD1OPRL1CCR1
SCHEMBL11465183 0.90 OPRD1 (0.43) OPRM1OPRK1OPRD1OPRL1DRD3
SCHEMBL11604012 0.89 OPRM1 (0.47) OPRM1OPRK1OPRD1OPRL1DRD3
SCHEMBL11466052 0.84 OPRM1 (0.43) OPRM1OPRK1OPRD1OPRL1SOAT1
SCHEMBL11446372 0.81 OPRK1 (0.44) OPRM1OPRK1OPRD1OPRL1DRD3
SCHEMBL11454733 0.79 ADRA1D (0.53) HTR1AMAPTL3MBTL1MAPK1MEN1
SCHEMBL11457668 0.76 ABCB1 (0.39) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL11455002 0.76 OPRM1 (0.42) OPRM1OPRK1OPRD1OPRL1DRD3
SCHEMBL11446845 0.74 OPRM1 (0.42) OPRM1OPRK1OPRD1OPRL1DRD3
SCHEMBL11446709 0.72 GFER (0.54) HTR1AMAPTL3MBTL1MAPK1MEN1

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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