SCHEMBL21132003

SCHEMBL21132003

CCCN(CC1CC1)CC1CCCC(CN(COCC)CC2CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
RORC P51449 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL21100722 0.90 OPRM1 (0.31) OPRM1OPRD1OPRK1
SCHEMBL24841615 0.79 OPRM1 (0.42) KDM4EHSD17B10OPRM1OPRD1OPRK1
SCHEMBL19543777 0.78 SMN1; SMN2 (0.32)
SCHEMBL25658677 0.77 SMN1; SMN2 (0.31)
SCHEMBL23718067 0.75 CYP1A2 (0.41) OPRM1OPRD1OPRK1RORCDRD2
Ammonia Solution, Strong SCHEMBL11361703 0.73 DRD2 (0.41) KDM4EHSD17B10RORCDRD2DRD3
SCHEMBL13612630 0.73 KDM4E (0.38) KDM4EHSD17B10DRD2DRD3
SCHEMBL16299333 0.72 OPRM1 (0.40) KDM4EHSD17B10OPRM1OPRD1OPRK1
SCHEMBL20611465 0.71 OPRM1 (0.41) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL172226 0.71 DRD2 (0.46) KDM4EHSD17B10OPRM1OPRD1OPRK1

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
WO-2019113781-A1 REMOVABLE PRESSURE-SENSITIVE ADHESIVES WITH HIGH PEEL STRENGTH AND REMOVABILITY AVERY DENNISON CORPORATION (US) 2019-06-20 WO disclosed