SCHEMBL7584616

SCHEMBL7584616

CN(CC1=C(c2cccc(O)c2)c2ccccc2CCC1)CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 17/20 0.39
OPRK1 P41145 16/20 0.39
OPRM1 P35372 15/20 0.39
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 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
Hydrochloric Acid SCHEMBL8002534 1.00 OPRD1 (0.39) OPRD1OPRK1OPRM1DRD2DRD3
Hydrochloric Acid SCHEMBL8011601 0.87 ESR1 (0.39) OPRD1OPRK1
SCHEMBL7584182 0.86 ESR1 (0.40) OPRD1OPRK1
Hydrochloric Acid SCHEMBL8017509 0.85 G6PC1 (0.41) OPRD1OPRK1OPRM1
Hydrochloric Acid SCHEMBL8014791 0.85 CHRNB4 (0.39) OPRD1OPRK1DRD2
Hydrochloric Acid SCHEMBL8014796 0.85 CHRNB4 (0.39) OPRD1OPRK1DRD2
SCHEMBL7588566 0.84 G6PC1 (0.41) OPRD1OPRK1OPRM1
SCHEMBL7587127 0.83 CHRNB4 (0.40) OPRD1OPRK1DRD2
SCHEMBL7587120 0.83 CHRNB4 (0.40) OPRD1OPRK1DRD2
Hydrochloric Acid SCHEMBL8011761 0.83 KDM4E (0.35) OPRD1OPRK1OPRM1

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
EP-0864559-B1 Substituted amino compounds and their use as analgesic active substances GRUENENTHAL GMBH (DE) 2002-06-05 EP disclosed
EP-0864559-A1 Substituted amino compounds and their use as analgesic active substances Grünenthal GmbH (DE) 1998-09-16 EP disclosed