SCHEMBL11446520

SCHEMBL11446520

CCC(=O)OC1(c2ccccc2)CCN(CCN(Cc2ccccc2)c2ccccc2C(=O)NC)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 4/20 0.52
▸ OPRM1 P35372 9/20 0.49
▸ OPRD1 P41143 7/20 0.49
▸ OPRK1 P41145 6/20 0.49
▸ DRD2 P14416 2/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ KCNA3 P22001 1/20 0.38
▸ LMNA P02545 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
SCHEMBL11446519 0.88 OPRM1 (0.44) DRD3OPRM1OPRD1OPRK1KCNA3
SCHEMBL11446492 0.79 DRD3 (0.56) DRD3OPRM1OPRD1OPRK1DRD2
SCHEMBL11446400 0.78 OPRM1 (0.44) DRD3OPRM1OPRD1OPRK1KCNA3
SCHEMBL19475378 0.74 DRD3 (0.68) DRD3OPRM1OPRD1OPRK1DRD2
SCHEMBL11446518 0.74 DRD3 (0.46) DRD3OPRM1OPRD1OPRK1DRD2
SCHEMBL19717856 0.74 DRD3 (0.64) DRD3OPRM1OPRD1OPRK1DRD2
SCHEMBL11456542 0.72 SIGMAR1 (0.49) OPRM1DRD2
Hydrochloric Acid SCHEMBL11454550 0.71 SIGMAR1 (0.48) OPRM1OPRD1OPRK1DRD2DRD4
SCHEMBL11458105 0.71 DRD3 (0.67) DRD3OPRM1OPRD1OPRK1DRD2
SCHEMBL614226 0.71 OPRM1 (0.71) DRD3OPRM1OPRD1OPRK1DRD2

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 2 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-4060526-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1977-11-29 — — US disclosed
Send feedback