SCHEMBL21780916

SCHEMBL21780916

Oc1ccc2c(c1)CC[C@H](c1ccccc1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.56
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
PRKACA P17612 1/20 0.45
LTK P29376 1/20 0.45
GRK5 P34947 1/20 0.45
KDR P35968 1/20 0.45
MAP2K2 P36507 1/20 0.45
MAPK8 P45983 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CDK8 P49336 1/20 0.45
CLK2 P49760 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CDK9 P50750 1/20 0.45
RPS6KA3 P51812 1/20 0.45

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
SCHEMBL4362691 1.00 OPRK1 (0.56) OPRK1DRD2DRD3DAPK3JAK2
SCHEMBL29683543 1.00 OPRK1 (0.56) OPRK1DRD2DRD3DAPK3JAK2
SCHEMBL1344597 0.90 OPRK1 (0.59) OPRK1DRD2DRD3CYP19A1DRD4
SCHEMBL4362317 0.86 ESR2 (0.47) OPRK1DRD2DRD3GRIN2BGRIN1
SCHEMBL5580620 0.85 OPRK1 (0.57) OPRK1DRD2DRD3CYP19A1DRD4
SCHEMBL19428987 0.80 CYP26A1 (0.52) OPRK1DRD2DRD3DRD4CA1
SCHEMBL13873900 0.80 OPRK1 (0.51) OPRK1DRD2DRD3ESR2ESR1
SCHEMBL3656067 0.80 OPRK1 (0.51) OPRK1DRD2DRD3ESR2ESR1
SCHEMBL4790634 0.80 GRIN2B (0.59) DAPK3JAK2CSF1RRETPRKACA
SCHEMBL29683570 0.80 GRIN2B (0.59) DAPK3JAK2CSF1RRETPRKACA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212599-A2 COMPOUNDS AND METHODS FOR TARGETED DEGRADATION OF ESTROGEN RECEPTORS ENDOTARGET INC. (US) 2023-11-02 WO claimed
CN-118834201-A Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degrading agents 阿尔维纳斯运营股份有限公司 2024-10-25 CN disclosed
CN-110291087-B Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degrading agents 阿尔维纳斯运营股份有限公司 2024-07-09 CN disclosed
CN-114656452-B Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders 阿尔维纳斯运营股份有限公司 2023-01-17 CN disclosed
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed