SCHEMBL21100722

SCHEMBL21100722

CCOCN(CC1CC1)CC1CCCC(CN(CC2CC2)CC2CC2)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL21132003 0.90 KDM4E (0.32) OPRM1OPRD1OPRK1
SCHEMBL25658677 0.85 SMN1; SMN2 (0.31)
SCHEMBL19543777 0.83 SMN1; SMN2 (0.32)
SCHEMBL20611465 0.80 OPRM1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL21471760 0.74
SCHEMBL17073916 0.72 OPRM1 (0.34) OPRM1OPRD1OPRK1
SCHEMBL18602491 0.69 OPRM1 (0.39) OPRM1OPRD1OPRK1
SCHEMBL22182531 0.68 OPRM1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL15448394 0.68 SLC6A2 (0.31)
SCHEMBL14554019 0.68 SLC6A2 (0.31)

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-2019113780-A1 ULTRA-REMOVABLE AND SOLVENT RESISTANT PRESSURE-SENSITIVE ADHESIVES AVERY DENNISON CORPORATION (US) 2019-06-20 WO disclosed