SCHEMBL11454802

SCHEMBL11454802

CCCOC1(c2ccccc2)CCN(CCNc2cccc(C(N)=O)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.52
▸ OPRM1 P35372 10/20 0.43
▸ OPRK1 P41145 8/20 0.43
▸ OPRD1 P41143 4/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ MET P08581 1/20 0.41
▸ ARRB1 P49407 1/20 0.39
▸ FAAH O00519 1/20 0.38

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
SCHEMBL11446372 0.83 OPRK1 (0.44) HTR7OPRM1OPRK1OPRD1OPRL1
SCHEMBL11447147 0.82 OPRM1 (0.46) HTR7OPRM1OPRK1OPRD1OPRL1
SCHEMBL11446845 0.80 OPRM1 (0.42) OPRM1OPRK1OPRD1OPRL1DRD3
SCHEMBL11455002 0.80 OPRM1 (0.42) OPRM1OPRK1OPRD1OPRL1DRD3
SCHEMBL11466052 0.78 OPRM1 (0.43) OPRM1OPRK1OPRD1OPRL1DRD3
SCHEMBL11446213 0.76 DRD3 (0.41) HTR7OPRM1OPRK1OPRD1OPRL1
SCHEMBL11446493 0.75 OPRM1 (0.45) OPRM1OPRK1OPRD1OPRL1DRD3
SCHEMBL11446888 0.75 DRD3 (0.38) OPRM1OPRK1OPRD1OPRL1DRD3
SCHEMBL9053106 0.74 DRD3 (0.72) OPRM1OPRK1OPRD1OPRL1DRD3
Diamocaine SCHEMBL29358950 0.74 DRD3 (0.53) OPRM1OPRK1OPRD1OPRL1DRD3

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 1 patent. 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
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