SCHEMBL24085992

SCHEMBL24085992

c1cc(CN(CC2CC2)CC2CO2)cc(CN(CC2CO2)CC2CO2)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.44
OPRK1 P41145 17/20 0.44
OPRD1 P41143 13/20 0.44
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
S1PR1 P21453 1/20 0.40

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
SCHEMBL15314659 0.92 ALDH1A1 (0.39) OPRM1OPRK1OPRD1S1PR1
SCHEMBL44458 0.92 ALDH1A1 (0.39) OPRM1OPRK1OPRD1S1PR1
SCHEMBL21100944 0.87 OPRM1 (0.39) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL20144679 0.84 NISCH (0.35) S1PR1
SCHEMBL1893856 0.83 OPRK1 (0.43) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL13483335 0.82 ALDH1A1 (0.31) S1PR1
SCHEMBL21100829 0.81 OPRM1 (0.34) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL24108515 0.81 SPHK2 (0.33) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL19544338 0.81 ALDH1A1 (0.30) S1PR1
SCHEMBL27794052 0.81 SLC6A2 (0.41)

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-20230130753-A1 GRAY-TONE RESISTS AND PROCESSES META PLATFORMS TECHNOLOGIES, LLC 2023-04-27 US disclosed
EP-3919532-A1 MODIFIED CONJUGATED DIENE-BASED POLYMER, METHOD FOR PRODUCING SAME, AND RUBBER COMPOSITION COMPRISING SAME LG CHEM, LTD. (KR) 2021-12-08 EP disclosed